# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.61706900
_cell_length_b   5.65504000
_cell_length_c   8.47203400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li12 Cu12 P12 O48'
_cell_volume   891.93802593
_cell_formula_units_Z   12
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  0.00020800  0.17331600  0.73922600  1
  Li  Li1  1  0.17938000  0.81659200  0.22804000  1
  Li  Li2  1  0.15517700  0.21406700  0.76004100  1
  Li  Li3  1  0.34482300  0.71406700  0.26004100  1
  Li  Li4  1  0.32062000  0.31659200  0.72804000  1
  Li  Li5  1  0.49979200  0.67331600  0.23922600  1
  Li  Li6  1  0.50020800  0.17331600  0.76077400  1
  Li  Li7  1  0.67938000  0.81659200  0.27196000  1
  Li  Li8  1  0.65517600  0.21406700  0.73995900  1
  Li  Li9  1  0.84482400  0.71406700  0.23995900  1
  Li  Li10  1  0.82062000  0.31659200  0.77196000  1
  Li  Li11  1  0.99979200  0.67331600  0.26077400  1
  Cu  Cu12  1  0.06878800  0.32526400  0.02702600  1
  Cu  Cu13  1  0.10302400  0.66018200  0.51161800  1
  Cu  Cu14  1  0.23322100  0.25891200  0.46056500  1
  Cu  Cu15  1  0.26677900  0.75891200  0.96056500  1
  Cu  Cu16  1  0.39697600  0.16018200  0.01161800  1
  Cu  Cu17  1  0.43121200  0.82526400  0.52702600  1
  Cu  Cu18  1  0.56878800  0.32526400  0.47297400  1
  Cu  Cu19  1  0.60302400  0.66018200  0.98838200  1
  Cu  Cu20  1  0.73322100  0.25891200  0.03943500  1
  Cu  Cu21  1  0.76677900  0.75891200  0.53943500  1
  Cu  Cu22  1  0.89697600  0.16018200  0.48838200  1
  Cu  Cu23  1  0.93121200  0.82526400  0.97297400  1
  P  P24  1  0.06877700  0.17393600  0.39905300  1
  P  P25  1  0.09241200  0.75983800  0.89758900  1
  P  P26  1  0.23991200  0.27143100  0.09308300  1
  P  P27  1  0.26008800  0.77143100  0.59308300  1
  P  P28  1  0.40758800  0.25983800  0.39758900  1
  P  P29  1  0.43122300  0.67393600  0.89905300  1
  P  P30  1  0.56877700  0.17393600  0.10094700  1
  P  P31  1  0.59241200  0.75983800  0.60241100  1
  P  P32  1  0.73991200  0.27143100  0.40691700  1
  P  P33  1  0.76008800  0.77143100  0.90691700  1
  P  P34  1  0.90758800  0.25983800  0.10241100  1
  P  P35  1  0.93122300  0.67393600  0.60094700  1
  O  O36  1  0.00022200  0.15642400  0.49872400  1
  O  O37  1  0.03208200  0.78784700  0.02631400  1
  O  O38  1  0.08761000  0.95046000  0.77062900  1
  O  O39  1  0.08322100  0.50811200  0.82076600  1
  O  O40  1  0.06220600  0.33911500  0.25569500  1
  O  O41  1  0.09551900  0.92542100  0.35023500  1
  O  O42  1  0.12697700  0.29318100  0.51165200  1
  O  O43  1  0.16327000  0.77722900  0.99486800  1
  O  O44  1  0.16915600  0.26565800  0.00054200  1
  O  O45  1  0.20574400  0.66190400  0.46966100  1
  O  O46  1  0.23690500  0.02429100  0.64295100  1
  O  O47  1  0.26162000  0.61066000  0.74001000  1
  O  O48  1  0.23838000  0.11066000  0.24001000  1
  O  O49  1  0.26309500  0.52429100  0.14295100  1
  O  O50  1  0.29425600  0.16190400  0.96966100  1
  O  O51  1  0.33084400  0.76565800  0.50054200  1
  O  O52  1  0.33673000  0.27722900  0.49486800  1
  O  O53  1  0.37302300  0.79318100  0.01165200  1
  O  O54  1  0.40448100  0.42542100  0.85023500  1
  O  O55  1  0.43779400  0.83911500  0.75569500  1
  O  O56  1  0.41677900  0.00811200  0.32076600  1
  O  O57  1  0.41239000  0.45046000  0.27062900  1
  O  O58  1  0.46791800  0.28784700  0.52631400  1
  O  O59  1  0.49977800  0.65642400  0.99872400  1
  O  O60  1  0.50022200  0.15642400  0.00127600  1
  O  O61  1  0.53208200  0.78784700  0.47368600  1
  O  O62  1  0.58761000  0.95046000  0.72937100  1
  O  O63  1  0.58322100  0.50811200  0.67923400  1
  O  O64  1  0.56220600  0.33911500  0.24430500  1
  O  O65  1  0.59551900  0.92542100  0.14976500  1
  O  O66  1  0.62697700  0.29318100  0.98834800  1
  O  O67  1  0.66327000  0.77722900  0.50513200  1
  O  O68  1  0.66915600  0.26565800  0.49945800  1
  O  O69  1  0.70574400  0.66190400  0.03033900  1
  O  O70  1  0.73690500  0.02429100  0.85704900  1
  O  O71  1  0.76162000  0.61066000  0.75999000  1
  O  O72  1  0.73838000  0.11066000  0.25999000  1
  O  O73  1  0.76309500  0.52429100  0.35704900  1
  O  O74  1  0.79425600  0.16190400  0.53033900  1
  O  O75  1  0.83084400  0.76565800  0.99945800  1
  O  O76  1  0.83673000  0.27722900  0.00513200  1
  O  O77  1  0.87302300  0.79318100  0.48834800  1
  O  O78  1  0.90448100  0.42542100  0.64976500  1
  O  O79  1  0.93779400  0.83911500  0.74430500  1
  O  O80  1  0.91677900  0.00811200  0.17923400  1
  O  O81  1  0.91239000  0.45046000  0.22937100  1
  O  O82  1  0.96791800  0.28784700  0.97368600  1
  O  O83  1  0.99977800  0.65642400  0.50127600  1
