# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95316188
_cell_length_b   9.95316188
_cell_length_c   22.81292300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li24 Cu24 P24 O96'
_cell_volume   1957.19323009
_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  0.02410900  0.94072100  0.41801200  1
  Li  Li1  1  0.06242400  0.55387200  0.91701200  1
  Li  Li2  1  0.06097700  0.51023800  0.25339500  1
  Li  Li3  1  0.01938000  0.48428600  0.58782200  1
  Li  Li4  1  0.46490600  0.98062000  0.92115600  1
  Li  Li5  1  0.44926100  0.93902300  0.58672800  1
  Li  Li6  1  0.05927900  0.08338700  0.08467900  1
  Li  Li7  1  0.49144800  0.93757600  0.25034600  1
  Li  Li8  1  0.08338700  0.02410900  0.25134500  1
  Li  Li9  1  0.44612800  0.50855200  0.58367900  1
  Li  Li10  1  0.48976200  0.55073900  0.92006200  1
  Li  Li11  1  0.51571400  0.53509400  0.25448900  1
  Li  Li12  1  0.48428600  0.46490600  0.75448900  1
  Li  Li13  1  0.51023800  0.44926100  0.42006200  1
  Li  Li14  1  0.55387200  0.49144800  0.08367900  1
  Li  Li15  1  0.91661300  0.97589100  0.75134500  1
  Li  Li16  1  0.50855200  0.06242400  0.75034600  1
  Li  Li17  1  0.94072100  0.91661300  0.58467900  1
  Li  Li18  1  0.55073900  0.06097700  0.08672800  1
  Li  Li19  1  0.53509400  0.01938000  0.42115600  1
  Li  Li20  1  0.98062000  0.51571400  0.08782200  1
  Li  Li21  1  0.93902300  0.48976200  0.75339500  1
  Li  Li22  1  0.93757600  0.44612800  0.41701200  1
  Li  Li23  1  0.97589100  0.05927900  0.91801200  1
  Cu  Cu24  1  0.14455600  0.83230900  0.68401300  1
  Cu  Cu25  1  0.19296900  0.89185300  0.00971400  1
  Cu  Cu26  1  0.18119300  0.78356900  0.37888000  1
  Cu  Cu27  1  0.10814700  0.30111500  0.67638100  1
  Cu  Cu28  1  0.32769300  0.67534800  0.81534100  1
  Cu  Cu29  1  0.32465200  0.65234500  0.48200800  1
  Cu  Cu30  1  0.34765500  0.67230700  0.14867500  1
  Cu  Cu31  1  0.16769100  0.31224700  0.35068000  1
  Cu  Cu32  1  0.21643100  0.39762300  0.04554700  1
  Cu  Cu33  1  0.60237700  0.81880700  0.71221400  1
  Cu  Cu34  1  0.30111500  0.19296900  0.84304800  1
  Cu  Cu35  1  0.31224700  0.14455600  0.51734700  1
  Cu  Cu36  1  0.68775300  0.85544400  0.01734700  1
  Cu  Cu37  1  0.69888500  0.80703100  0.34304800  1
  Cu  Cu38  1  0.39762300  0.18119300  0.21221400  1
  Cu  Cu39  1  0.78356900  0.60237700  0.54554700  1
  Cu  Cu40  1  0.83230900  0.68775300  0.85068000  1
  Cu  Cu41  1  0.65234500  0.32769300  0.64867500  1
  Cu  Cu42  1  0.67534800  0.34765500  0.98200800  1
  Cu  Cu43  1  0.67230700  0.32465200  0.31534100  1
  Cu  Cu44  1  0.89185300  0.69888500  0.17638100  1
  Cu  Cu45  1  0.81880700  0.21643100  0.87888000  1
  Cu  Cu46  1  0.80703100  0.10814700  0.50971400  1
  Cu  Cu47  1  0.85544400  0.16769100  0.18401300  1
  P  P48  1  0.17685400  0.85319700  0.81476400  1
  P  P49  1  0.12788700  0.77893400  0.50798100  1
  P  P50  1  0.22595900  0.88773700  0.14565800  1
  P  P51  1  0.11226300  0.33822200  0.81232400  1
  P  P52  1  0.32819700  0.68847100  0.00816200  1
  P  P53  1  0.14680300  0.32365700  0.48143100  1
  P  P54  1  0.31152900  0.63972600  0.67482800  1
  P  P55  1  0.36027400  0.67180300  0.34149500  1
  P  P56  1  0.22106600  0.34895300  0.17464800  1
  P  P57  1  0.65104700  0.87211300  0.84131500  1
  P  P58  1  0.33822200  0.22595900  0.97899100  1
  P  P59  1  0.32365700  0.17685400  0.64809700  1
  P  P60  1  0.67634300  0.82314600  0.14809700  1
  P  P61  1  0.66177800  0.77404100  0.47899100  1
  P  P62  1  0.34895300  0.12788700  0.34131500  1
  P  P63  1  0.77893400  0.65104700  0.67464800  1
  P  P64  1  0.63972600  0.32819700  0.84149500  1
  P  P65  1  0.68847100  0.36027400  0.17482800  1
  P  P66  1  0.85319700  0.67634300  0.98143100  1
  P  P67  1  0.67180300  0.31152900  0.50816200  1
  P  P68  1  0.88773700  0.66177800  0.31232400  1
  P  P69  1  0.77404100  0.11226300  0.64565800  1
  P  P70  1  0.87211300  0.22106600  0.00798100  1
  P  P71  1  0.82314600  0.14680300  0.31476400  1
  O  O72  1  0.01465800  0.71339900  0.80070200  1
  O  O73  1  0.15213100  0.97705700  0.84621100  1
  O  O74  1  0.01714200  0.68802200  0.55904400  1
  O  O75  1  0.13100700  0.93559000  0.49582500  1
  O  O76  1  0.19725400  0.99667900  0.18628400  1
  O  O77  1  0.07570000  0.72967200  0.13477700  1
  O  O78  1  0.06739100  0.67291300  0.45259100  1
  O  O79  1  0.26847700  0.91271800  0.75574300  1
  O  O80  1  0.28761900  0.97016500  0.08618800  1
  O  O81  1  0.15434000  0.63401400  0.68160800  1
  O  O82  1  0.20865900  0.71438100  0.97438000  1
  O  O83  1  0.27799300  0.81578000  0.85662700  1
  O  O84  1  0.21138200  0.65172700  0.31285100  1
  O  O85  1  0.29352600  0.81358300  0.52361600  1
  O  O86  1  0.02983500  0.31745400  0.75285500  1
  O  O87  1  0.35388000  0.86314700  0.17437700  1
  O  O88  1  0.13685300  0.49073300  0.84104300  1
  O  O89  1  0.00332100  0.20057400  0.85295000  1
  O  O90  1  0.08728200  0.35575900  0.42240900  1
  O  O91  1  0.02294300  0.17507300  0.51287800  1
  O  O92  1  0.25017900  0.61222500  0.06966000  1
  O  O93  1  0.06441000  0.19541700  0.16249200  1
  O  O94  1  0.18422000  0.46221300  0.52329300  1
  O  O95  1  0.18641700  0.47994300  0.19028200  1
  O  O96  1  0.36204600  0.74982100  0.40299300  1
  O  O97  1  0.28561900  0.49427700  0.64104700  1
  O  O98  1  0.38777500  0.63795400  0.73632700  1
  O  O99  1  0.34827300  0.55965400  0.97951800  1
  O  O100  1  0.44034600  0.78861800  0.64618500  1
  O  O101  1  0.47967400  0.84566000  0.01494200  1
  O  O102  1  0.36598600  0.52032600  0.34827500  1
  O  O103  1  0.17507300  0.15213100  0.67954400  1
  O  O104  1  0.20057400  0.19725400  0.01961700  1
  O  O105  1  0.27032800  0.34602800  0.80144400  1
  O  O106  1  0.32708700  0.39447800  0.11925800  1
  O  O107  1  0.50572300  0.79134100  0.30771400  1
  O  O108  1  0.19541700  0.13100700  0.32915800  1
  O  O109  1  0.28660100  0.30125900  0.46736900  1
  O  O110  1  0.31197800  0.32912000  0.22571100  1
  O  O111  1  0.52005700  0.70647400  0.85694900  1
  O  O112  1  0.60552200  0.93260900  0.78592500  1
  O  O113  1  0.53778700  0.72200700  0.18996000  1
  O  O114  1  0.31745400  0.28761900  0.91952200  1
  O  O115  1  0.67088000  0.98285800  0.89237700  1
  O  O116  1  0.50926700  0.64612000  0.50771000  1
  O  O117  1  0.35575900  0.26847700  0.58907600  1
  O  O118  1  0.65397200  0.92430000  0.46811000  1
  O  O119  1  0.69874100  0.98534200  0.13403500  1
  O  O120  1  0.30125900  0.01465800  0.63403500  1
  O  O121  1  0.34602800  0.07570000  0.96811000  1
  O  O122  1  0.64424100  0.73152300  0.08907600  1
  O  O123  1  0.49073300  0.35388000  0.00771000  1
  O  O124  1  0.32912000  0.01714200  0.39237700  1
  O  O125  1  0.68254600  0.71238100  0.41952200  1
  O  O126  1  0.46221300  0.27799300  0.68996000  1
  O  O127  1  0.39447800  0.06739100  0.28592500  1
  O  O128  1  0.47994300  0.29352600  0.35694900  1
  O  O129  1  0.68802200  0.67088000  0.72571100  1
  O  O130  1  0.71339900  0.69874100  0.96736900  1
  O  O131  1  0.80458300  0.86899300  0.82915800  1
  O  O132  1  0.49427700  0.20865900  0.80771400  1
  O  O133  1  0.67291300  0.60552200  0.61925800  1
  O  O134  1  0.72967200  0.65397200  0.30144400  1
  O  O135  1  0.79942600  0.80274600  0.51961700  1
  O  O136  1  0.82492700  0.84786900  0.17954400  1
  O  O137  1  0.63401400  0.47967400  0.84827500  1
  O  O138  1  0.52032600  0.15434000  0.51494200  1
  O  O139  1  0.55965400  0.21138200  0.14618500  1
  O  O140  1  0.65172700  0.44034600  0.47951800  1
  O  O141  1  0.61222500  0.36204600  0.23632700  1
  O  O142  1  0.71438100  0.50572300  0.14104700  1
  O  O143  1  0.63795400  0.25017900  0.90299300  1
  O  O144  1  0.81358300  0.52005700  0.69028200  1
  O  O145  1  0.81578000  0.53778700  0.02329300  1
  O  O146  1  0.93559000  0.80458300  0.66249200  1
  O  O147  1  0.74982100  0.38777500  0.56966000  1
  O  O148  1  0.97705700  0.82492700  0.01287800  1
  O  O149  1  0.91271800  0.64424100  0.92240900  1
  O  O150  1  0.99667900  0.79942600  0.35295000  1
  O  O151  1  0.86314700  0.50926700  0.34104300  1
  O  O152  1  0.64612000  0.13685300  0.67437700  1
  O  O153  1  0.97016500  0.68254600  0.25285500  1
  O  O154  1  0.70647400  0.18641700  0.02361600  1
  O  O155  1  0.78861800  0.34827300  0.81285100  1
  O  O156  1  0.72200700  0.18422000  0.35662700  1
  O  O157  1  0.79134100  0.28561900  0.47438000  1
  O  O158  1  0.84566000  0.36598600  0.18160800  1
  O  O159  1  0.71238100  0.02983500  0.58618800  1
  O  O160  1  0.73152300  0.08728200  0.25574300  1
  O  O161  1  0.93260900  0.32708700  0.95259100  1
  O  O162  1  0.92430000  0.27032800  0.63477700  1
  O  O163  1  0.80274600  0.00332100  0.68628400  1
  O  O164  1  0.86899300  0.06441000  0.99582500  1
  O  O165  1  0.98285800  0.31197800  0.05904400  1
  O  O166  1  0.84786900  0.02294300  0.34621100  1
  O  O167  1  0.98534200  0.28660100  0.30070200  1
