# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90619206
_cell_length_b   9.90619206
_cell_length_c   23.69266500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li24 Cu24 P24 O96'
_cell_volume   2013.52966094
_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  0.02361300  0.98252900  0.69553700  1
  Li  Li1  1  0.03268400  0.58176600  0.03597200  1
  Li  Li2  1  0.03984700  0.46140400  0.19233900  1
  Li  Li3  1  0.04081200  0.48288200  0.85037800  1
  Li  Li4  1  0.42155700  0.96015300  0.85900600  1
  Li  Li5  1  0.44207000  0.95918800  0.51704500  1
  Li  Li6  1  0.01747100  0.04108300  0.02887100  1
  Li  Li7  1  0.04108300  0.02361300  0.86220400  1
  Li  Li8  1  0.54908200  0.96731600  0.70263900  1
  Li  Li9  1  0.41823400  0.45091800  0.36930600  1
  Li  Li10  1  0.51711800  0.55793000  0.18371200  1
  Li  Li11  1  0.53859600  0.57844300  0.52567300  1
  Li  Li12  1  0.46140400  0.42155700  0.02567300  1
  Li  Li13  1  0.48288200  0.44207000  0.68371200  1
  Li  Li14  1  0.58176600  0.54908200  0.86930600  1
  Li  Li15  1  0.45091800  0.03268400  0.20263900  1
  Li  Li16  1  0.95891700  0.97638700  0.36220400  1
  Li  Li17  1  0.98252900  0.95891700  0.52887100  1
  Li  Li18  1  0.55793000  0.04081200  0.01704500  1
  Li  Li19  1  0.57844300  0.03984700  0.35900600  1
  Li  Li20  1  0.95918800  0.51711800  0.35037800  1
  Li  Li21  1  0.96015300  0.53859600  0.69233900  1
  Li  Li22  1  0.96731600  0.41823400  0.53597200  1
  Li  Li23  1  0.97638700  0.01747100  0.19553700  1
  Cu  Cu24  1  0.11421200  0.81927600  0.26913000  1
  Cu  Cu25  1  0.09624000  0.77310000  0.92251100  1
  Cu  Cu26  1  0.12324500  0.76010100  0.59388300  1
  Cu  Cu27  1  0.31548800  0.65729700  0.75588000  1
  Cu  Cu28  1  0.34270300  0.65819100  0.08921300  1
  Cu  Cu29  1  0.34180900  0.68451200  0.42254600  1
  Cu  Cu30  1  0.18072400  0.29493600  0.60246400  1
  Cu  Cu31  1  0.23989900  0.36314500  0.92721600  1
  Cu  Cu32  1  0.22690000  0.32314000  0.25584400  1
  Cu  Cu33  1  0.63685500  0.87675500  0.26054900  1
  Cu  Cu34  1  0.67686000  0.90376000  0.58917700  1
  Cu  Cu35  1  0.29493600  0.11421200  0.43579700  1
  Cu  Cu36  1  0.70506400  0.88578800  0.93579700  1
  Cu  Cu37  1  0.32314000  0.09624000  0.08917700  1
  Cu  Cu38  1  0.36314500  0.12324500  0.76054900  1
  Cu  Cu39  1  0.77310000  0.67686000  0.75584400  1
  Cu  Cu40  1  0.76010100  0.63685500  0.42721600  1
  Cu  Cu41  1  0.81927600  0.70506400  0.10246400  1
  Cu  Cu42  1  0.65819100  0.31548800  0.92254600  1
  Cu  Cu43  1  0.65729700  0.34180900  0.58921300  1
  Cu  Cu44  1  0.68451200  0.34270300  0.25588000  1
  Cu  Cu45  1  0.87675500  0.23989900  0.09388300  1
  Cu  Cu46  1  0.90376000  0.22690000  0.42251100  1
  Cu  Cu47  1  0.88578800  0.18072400  0.76913000  1
  P  P48  1  0.09552600  0.79035700  0.79059400  1
  P  P49  1  0.08012100  0.75997200  0.46523100  1
  P  P50  1  0.13518100  0.77395200  0.13812300  1
  P  P51  1  0.29122400  0.65035600  0.29633300  1
  P  P52  1  0.35913200  0.70877600  0.96300000  1
  P  P53  1  0.34964400  0.64086800  0.62966700  1
  P  P54  1  0.22604800  0.36122900  0.47145600  1
  P  P55  1  0.20964300  0.30517000  0.12392800  1
  P  P56  1  0.24002800  0.32015000  0.79856400  1
  P  P57  1  0.63877100  0.86481900  0.80479000  1
  P  P58  1  0.67985000  0.91987900  0.13189800  1
  P  P59  1  0.69483000  0.90447400  0.45726100  1
  P  P60  1  0.30517000  0.09552600  0.95726100  1
  P  P61  1  0.32015000  0.08012100  0.63189800  1
  P  P62  1  0.36122900  0.13518100  0.30479000  1
  P  P63  1  0.75997200  0.67985000  0.29856400  1
  P  P64  1  0.79035700  0.69483000  0.62392800  1
  P  P65  1  0.77395200  0.63877100  0.97145600  1
  P  P66  1  0.65035600  0.35913200  0.12966700  1
  P  P67  1  0.64086800  0.29122400  0.46300000  1
  P  P68  1  0.70877600  0.34964400  0.79633300  1
  P  P69  1  0.86481900  0.22604800  0.63812300  1
  P  P70  1  0.91987900  0.24002800  0.96523100  1
  P  P71  1  0.90447400  0.20964300  0.29059400  1
  O  O72  1  0.03821100  0.77363700  0.08634000  1
  O  O73  1  0.09034000  0.92178400  0.46722200  1
  O  O74  1  0.01590200  0.70116100  0.84586100  1
  O  O75  1  0.14203000  0.99074200  0.92876400  1
  O  O76  1  0.03694000  0.74873200  0.19205800  1
  O  O77  1  0.01291700  0.67371400  0.52205600  1
  O  O78  1  0.24947900  0.93893500  0.80828100  1
  O  O79  1  0.13771000  0.65563800  0.30445700  1
  O  O80  1  0.11611700  0.67921000  0.75126800  1
  O  O81  1  0.31162200  0.96821000  0.58369200  1
  O  O82  1  0.29518000  0.92647200  0.14068400  1
  O  O83  1  0.16226700  0.63297900  0.13207700  1
  O  O84  1  0.24833100  0.79028600  0.45698800  1
  O  O85  1  0.18078400  0.60421100  0.61851000  1
  O  O86  1  0.07352800  0.36870800  0.47401800  1
  O  O87  1  0.26900900  0.72875500  0.91321700  1
  O  O88  1  0.03179000  0.34341100  0.91702500  1
  O  O89  1  0.06106500  0.31054400  0.14161400  1
  O  O90  1  0.00925800  0.15128900  0.26209700  1
  O  O91  1  0.07821600  0.16855600  0.80055500  1
  O  O92  1  0.25996300  0.67688200  0.01756200  1
  O  O93  1  0.27124500  0.54025400  0.24655000  1
  O  O94  1  0.32311800  0.58308100  0.35089600  1
  O  O95  1  0.20971400  0.45804400  0.79032100  1
  O  O96  1  0.41691900  0.74003700  0.68422900  1
  O  O97  1  0.42342700  0.81921600  0.28517600  1
  O  O98  1  0.47071200  0.83773300  0.79874300  1
  O  O99  1  0.32079000  0.43690700  0.08460100  1
  O  O100  1  0.34436200  0.48207100  0.63779000  1
  O  O101  1  0.36702100  0.52928800  0.46541000  1
  O  O102  1  0.25126800  0.28820800  0.52539100  1
  O  O103  1  0.39578900  0.57657300  0.95184300  1
  O  O104  1  0.45974600  0.73099100  0.57988300  1
  O  O105  1  0.51792900  0.86229000  0.97112400  1
  O  O106  1  0.56309300  0.88388300  0.41793500  1
  O  O107  1  0.15128900  0.14203000  0.09543000  1
  O  O108  1  0.22636300  0.26457500  0.41967400  1
  O  O109  1  0.29883900  0.31474100  0.17919400  1
  O  O110  1  0.16855600  0.09034000  0.63388900  1
  O  O111  1  0.32628600  0.33920300  0.85538900  1
  O  O112  1  0.54195600  0.75166900  0.12365500  1
  O  O113  1  0.31054400  0.24947900  0.97494700  1
  O  O114  1  0.66079700  0.98708300  0.18872300  1
  O  O115  1  0.34341100  0.31162200  0.75035800  1
  O  O116  1  0.36870800  0.29518000  0.30735100  1
  O  O117  1  0.68525900  0.98409800  0.51252700  1
  O  O118  1  0.71179200  0.96306000  0.85872400  1
  O  O119  1  0.26457500  0.03821100  0.25300700  1
  O  O120  1  0.73542500  0.96178900  0.75300700  1
  O  O121  1  0.28820800  0.03694000  0.35872400  1
  O  O122  1  0.31474100  0.01590200  0.01252700  1
  O  O123  1  0.63129200  0.70482000  0.80735100  1
  O  O124  1  0.65658900  0.68837800  0.25035800  1
  O  O125  1  0.33920300  0.01291700  0.68872300  1
  O  O126  1  0.68945600  0.75052100  0.47494700  1
  O  O127  1  0.45804400  0.24833100  0.62365500  1
  O  O128  1  0.67371400  0.66079700  0.35538900  1
  O  O129  1  0.83144400  0.90966000  0.13388900  1
  O  O130  1  0.70116100  0.68525900  0.67919400  1
  O  O131  1  0.77363700  0.73542500  0.91967400  1
  O  O132  1  0.84871100  0.85797000  0.59543000  1
  O  O133  1  0.43690700  0.11611700  0.91793500  1
  O  O134  1  0.48207100  0.13771000  0.47112400  1
  O  O135  1  0.54025400  0.26900900  0.07988300  1
  O  O136  1  0.60421100  0.42342700  0.45184300  1
  O  O137  1  0.74873200  0.71179200  0.02539100  1
  O  O138  1  0.63297900  0.47071200  0.96541000  1
  O  O139  1  0.65563800  0.51792900  0.13779000  1
  O  O140  1  0.67921000  0.56309300  0.58460100  1
  O  O141  1  0.52928800  0.16226700  0.29874300  1
  O  O142  1  0.57657300  0.18078400  0.78517600  1
  O  O143  1  0.58308100  0.25996300  0.18422900  1
  O  O144  1  0.79028600  0.54195600  0.29032100  1
  O  O145  1  0.67688200  0.41691900  0.85089600  1
  O  O146  1  0.72875500  0.45974600  0.74655000  1
  O  O147  1  0.74003700  0.32311800  0.51756200  1
  O  O148  1  0.92178400  0.83144400  0.30055500  1
  O  O149  1  0.99074200  0.84871100  0.76209700  1
  O  O150  1  0.93893500  0.68945600  0.64161400  1
  O  O151  1  0.96821000  0.65658900  0.41702500  1
  O  O152  1  0.73099100  0.27124500  0.41321700  1
  O  O153  1  0.92647200  0.63129200  0.97401800  1
  O  O154  1  0.81921600  0.39578900  0.11851000  1
  O  O155  1  0.75166900  0.20971400  0.95698800  1
  O  O156  1  0.83773300  0.36702100  0.63207700  1
  O  O157  1  0.70482000  0.07352800  0.64068400  1
  O  O158  1  0.68837800  0.03179000  0.08369200  1
  O  O159  1  0.88388300  0.32079000  0.25126800  1
  O  O160  1  0.86229000  0.34436200  0.80445700  1
  O  O161  1  0.75052100  0.06106500  0.30828100  1
  O  O162  1  0.98708300  0.32628600  0.02205600  1
  O  O163  1  0.96306000  0.25126800  0.69205800  1
  O  O164  1  0.85797000  0.00925800  0.42876400  1
  O  O165  1  0.98409800  0.29883900  0.34586100  1
  O  O166  1  0.90966000  0.07821600  0.96722200  1
  O  O167  1  0.96178900  0.22636300  0.58634000  1
