# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82199236
_cell_length_b   9.82199236
_cell_length_c   21.61957600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li24 Cu24 P24 O96'
_cell_volume   1806.24632819
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.14582200  0.82856100  0.67381100  1
  Li  Li1  1  0.18913000  0.88143600  0.00939200  1
  Li  Li2  1  0.18013900  0.79041300  0.37438300  1
  Li  Li3  1  0.11856400  0.30769400  0.67605800  1
  Li  Li4  1  0.33138000  0.68674100  0.82308200  1
  Li  Li5  1  0.31325900  0.64463900  0.48974900  1
  Li  Li6  1  0.35536100  0.66862000  0.15641500  1
  Li  Li7  1  0.17143900  0.31726100  0.34047800  1
  Li  Li8  1  0.20958700  0.38972600  0.04105000  1
  Li  Li9  1  0.61027400  0.81986100  0.70771700  1
  Li  Li10  1  0.30769400  0.18913000  0.84272500  1
  Li  Li11  1  0.31726100  0.14582200  0.50714500  1
  Li  Li12  1  0.68273900  0.85417800  0.00714500  1
  Li  Li13  1  0.69230600  0.81087000  0.34272500  1
  Li  Li14  1  0.38972600  0.18013900  0.20771700  1
  Li  Li15  1  0.79041300  0.61027400  0.54105000  1
  Li  Li16  1  0.82856100  0.68273900  0.84047800  1
  Li  Li17  1  0.64463900  0.33138000  0.65641500  1
  Li  Li18  1  0.68674100  0.35536100  0.98974900  1
  Li  Li19  1  0.66862000  0.31325900  0.32308200  1
  Li  Li20  1  0.88143600  0.69230600  0.17605800  1
  Li  Li21  1  0.81986100  0.20958700  0.87438300  1
  Li  Li22  1  0.81087000  0.11856400  0.50939200  1
  Li  Li23  1  0.85417800  0.17143900  0.17381100  1
  Cu  Cu24  1  0.99796800  0.95653900  0.42767100  1
  Cu  Cu25  1  0.04762700  0.55810700  0.90926700  1
  Cu  Cu26  1  0.04418300  0.51579100  0.24523700  1
  Cu  Cu27  1  0.97916400  0.45855300  0.58374600  1
  Cu  Cu28  1  0.47938900  0.02083600  0.91708000  1
  Cu  Cu29  1  0.47160800  0.95581700  0.57857100  1
  Cu  Cu30  1  0.04346100  0.04142800  0.09433700  1
  Cu  Cu31  1  0.51048000  0.95237300  0.24260000  1
  Cu  Cu32  1  0.04142800  0.99796800  0.26100400  1
  Cu  Cu33  1  0.44189300  0.48952000  0.57593400  1
  Cu  Cu34  1  0.48420900  0.52839200  0.91190400  1
  Cu  Cu35  1  0.54144700  0.52061100  0.25041300  1
  Cu  Cu36  1  0.45855300  0.47938900  0.75041300  1
  Cu  Cu37  1  0.51579100  0.47160800  0.41190400  1
  Cu  Cu38  1  0.55810700  0.51048000  0.07593400  1
  Cu  Cu39  1  0.95857200  0.00203200  0.76100400  1
  Cu  Cu40  1  0.48952000  0.04762700  0.74260000  1
  Cu  Cu41  1  0.95653900  0.95857200  0.59433700  1
  Cu  Cu42  1  0.52839200  0.04418300  0.07857100  1
  Cu  Cu43  1  0.52061100  0.97916400  0.41708000  1
  Cu  Cu44  1  0.02083600  0.54144700  0.08374600  1
  Cu  Cu45  1  0.95581700  0.48420900  0.74523700  1
  Cu  Cu46  1  0.95237300  0.44189300  0.40926700  1
  Cu  Cu47  1  0.00203200  0.04346100  0.92767100  1
  P  P48  1  0.17363400  0.86346000  0.81427400  1
  P  P49  1  0.12585400  0.76742000  0.50651200  1
  P  P50  1  0.21726400  0.87538900  0.15239000  1
  P  P51  1  0.12461100  0.34187500  0.81905700  1
  P  P52  1  0.33027500  0.69321400  0.00938100  1
  P  P53  1  0.13654000  0.31017400  0.48094000  1
  P  P54  1  0.30678600  0.63706100  0.67604800  1
  P  P55  1  0.36293900  0.66972500  0.34271400  1
  P  P56  1  0.23258000  0.35843400  0.17317900  1
  P  P57  1  0.64156600  0.87414600  0.83984600  1
  P  P58  1  0.34187500  0.21726400  0.98572400  1
  P  P59  1  0.31017400  0.17363400  0.64760700  1
  P  P60  1  0.68982600  0.82636600  0.14760700  1
  P  P61  1  0.65812500  0.78273600  0.48572400  1
  P  P62  1  0.35843400  0.12585400  0.33984600  1
  P  P63  1  0.76742000  0.64156600  0.67317900  1
  P  P64  1  0.63706100  0.33027500  0.84271400  1
  P  P65  1  0.69321400  0.36293900  0.17604800  1
  P  P66  1  0.86346000  0.68982600  0.98094000  1
  P  P67  1  0.66972500  0.30678600  0.50938100  1
  P  P68  1  0.87538900  0.65812500  0.31905700  1
  P  P69  1  0.78273600  0.12461100  0.65239000  1
  P  P70  1  0.87414600  0.23258000  0.00651200  1
  P  P71  1  0.82636600  0.13654000  0.31427400  1
  O  O72  1  0.02609900  0.70475800  0.79952500  1
  O  O73  1  0.11945100  0.98345300  0.83482700  1
  O  O74  1  0.00911200  0.66533300  0.55869000  1
  O  O75  1  0.11946300  0.92166300  0.49530100  1
  O  O76  1  0.17608600  0.98670000  0.18890900  1
  O  O77  1  0.06306900  0.72521700  0.13276100  1
  O  O78  1  0.08188300  0.66734600  0.44731600  1
  O  O79  1  0.26708300  0.92391600  0.75212400  1
  O  O80  1  0.30295400  0.95946800  0.09139700  1
  O  O81  1  0.14061500  0.62053500  0.68067000  1
  O  O82  1  0.20350900  0.70622200  0.97183400  1
  O  O83  1  0.28570600  0.84949700  0.86070600  1
  O  O84  1  0.19982800  0.63186600  0.31674200  1
  O  O85  1  0.29522500  0.81423700  0.52588500  1
  O  O86  1  0.04053200  0.34348700  0.75806400  1
  O  O87  1  0.32491100  0.83336700  0.19055400  1
  O  O88  1  0.16663300  0.49154400  0.85722100  1
  O  O89  1  0.01330000  0.18938600  0.85557600  1
  O  O90  1  0.07608400  0.34316700  0.41879000  1
  O  O91  1  0.01654700  0.13599800  0.50149400  1
  O  O92  1  0.25827800  0.63253200  0.07485600  1
  O  O93  1  0.07833700  0.19780000  0.16196800  1
  O  O94  1  0.15050300  0.43620900  0.52737200  1
  O  O95  1  0.18576300  0.48098800  0.19255100  1
  O  O96  1  0.37425400  0.74172200  0.40818900  1
  O  O97  1  0.29377800  0.49728800  0.63850000  1
  O  O98  1  0.36746800  0.62574600  0.74152300  1
  O  O99  1  0.36813400  0.56796200  0.98340900  1
  O  O100  1  0.43203800  0.80017200  0.65007500  1
  O  O101  1  0.47992000  0.85938500  0.01400400  1
  O  O102  1  0.37946500  0.52008000  0.34733700  1
  O  O103  1  0.13599800  0.11945100  0.66816000  1
  O  O104  1  0.18938600  0.17608600  0.02224300  1
  O  O105  1  0.27478300  0.33785200  0.79942800  1
  O  O106  1  0.33265400  0.41453700  0.11398200  1
  O  O107  1  0.50271200  0.79649100  0.30516700  1
  O  O108  1  0.19780000  0.11946300  0.32863400  1
  O  O109  1  0.29524200  0.32134100  0.46619100  1
  O  O110  1  0.33466700  0.34377900  0.22535600  1
  O  O111  1  0.51901200  0.70477500  0.85921800  1
  O  O112  1  0.58546300  0.91811700  0.78064900  1
  O  O113  1  0.56379100  0.71429400  0.19403900  1
  O  O114  1  0.34348700  0.30295400  0.92473100  1
  O  O115  1  0.65622100  0.99088800  0.89202300  1
  O  O116  1  0.50845600  0.67508900  0.52388800  1
  O  O117  1  0.34316700  0.26708300  0.58545700  1
  O  O118  1  0.66214800  0.93693100  0.46609400  1
  O  O119  1  0.67865900  0.97390100  0.13285800  1
  O  O120  1  0.32134100  0.02609900  0.63285800  1
  O  O121  1  0.33785200  0.06306900  0.96609400  1
  O  O122  1  0.65683300  0.73291700  0.08545700  1
  O  O123  1  0.49154400  0.32491100  0.02388800  1
  O  O124  1  0.34377900  0.00911200  0.39202300  1
  O  O125  1  0.65651300  0.69704600  0.42473100  1
  O  O126  1  0.43620900  0.28570600  0.69403900  1
  O  O127  1  0.41453700  0.08188300  0.28064900  1
  O  O128  1  0.48098800  0.29522500  0.35921800  1
  O  O129  1  0.66533300  0.65622100  0.72535600  1
  O  O130  1  0.70475800  0.67865900  0.96619100  1
  O  O131  1  0.80220000  0.88053700  0.82863400  1
  O  O132  1  0.49728800  0.20350900  0.80516700  1
  O  O133  1  0.66734600  0.58546300  0.61398200  1
  O  O134  1  0.72521700  0.66214800  0.29942800  1
  O  O135  1  0.81061400  0.82391400  0.52224300  1
  O  O136  1  0.86400200  0.88054900  0.16816000  1
  O  O137  1  0.62053500  0.47992000  0.84733700  1
  O  O138  1  0.52008000  0.14061500  0.51400400  1
  O  O139  1  0.56796200  0.19982800  0.15007500  1
  O  O140  1  0.63186600  0.43203800  0.48340900  1
  O  O141  1  0.63253200  0.37425400  0.24152300  1
  O  O142  1  0.70622200  0.50271200  0.13850000  1
  O  O143  1  0.62574600  0.25827800  0.90818900  1
  O  O144  1  0.81423700  0.51901200  0.69255100  1
  O  O145  1  0.84949700  0.56379100  0.02737200  1
  O  O146  1  0.92166300  0.80220000  0.66196800  1
  O  O147  1  0.74172200  0.36746800  0.57485600  1
  O  O148  1  0.98345300  0.86400200  0.00149400  1
  O  O149  1  0.92391600  0.65683300  0.91879000  1
  O  O150  1  0.98670000  0.81061400  0.35557600  1
  O  O151  1  0.83336700  0.50845600  0.35722100  1
  O  O152  1  0.67508900  0.16663300  0.69055400  1
  O  O153  1  0.95946800  0.65651300  0.25806400  1
  O  O154  1  0.70477500  0.18576300  0.02588500  1
  O  O155  1  0.80017200  0.36813400  0.81674200  1
  O  O156  1  0.71429400  0.15050300  0.36070600  1
  O  O157  1  0.79649100  0.29377800  0.47183400  1
  O  O158  1  0.85938500  0.37946500  0.18067000  1
  O  O159  1  0.69704600  0.04053200  0.59139700  1
  O  O160  1  0.73291700  0.07608400  0.25212400  1
  O  O161  1  0.91811700  0.33265400  0.94731600  1
  O  O162  1  0.93693100  0.27478300  0.63276100  1
  O  O163  1  0.82391400  0.01330000  0.68890900  1
  O  O164  1  0.88053700  0.07833700  0.99530100  1
  O  O165  1  0.99088800  0.33466700  0.05869000  1
  O  O166  1  0.88054900  0.01654700  0.33482700  1
  O  O167  1  0.97390100  0.29524200  0.29952500  1
