# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75858000
_cell_length_b   8.48373700
_cell_length_c   17.36733888
_cell_angle_alpha   62.14672891
_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   1010.71143533
_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  0.02931400  0.72181000  0.05874500  1
  Li  Li1  1  0.95353500  0.36158900  0.40847100  1
  Li  Li2  1  0.14898600  0.01484300  0.75360000  1
  Li  Li3  1  0.64898600  0.98515700  0.74640000  1
  Li  Li4  1  0.45353500  0.63841100  0.09152900  1
  Li  Li5  1  0.52931400  0.27819000  0.44125500  1
  Li  Li6  1  0.47068600  0.72181000  0.55874500  1
  Li  Li7  1  0.54646500  0.36158900  0.90847100  1
  Li  Li8  1  0.35101400  0.01484300  0.25360000  1
  Li  Li9  1  0.85101400  0.98515700  0.24640000  1
  Li  Li10  1  0.04646500  0.63841100  0.59152900  1
  Li  Li11  1  0.97068600  0.27819000  0.94125500  1
  Cu  Cu12  1  0.73823200  0.37276400  0.58993400  1
  Cu  Cu13  1  0.76635000  0.66328000  0.22646600  1
  Cu  Cu14  1  0.72997900  0.95701600  0.92434500  1
  Cu  Cu15  1  0.22997900  0.04298400  0.57565500  1
  Cu  Cu16  1  0.26635000  0.33672000  0.27353400  1
  Cu  Cu17  1  0.23823200  0.62723600  0.91006600  1
  Cu  Cu18  1  0.76176800  0.37276400  0.08993400  1
  Cu  Cu19  1  0.73365000  0.66328000  0.72646600  1
  Cu  Cu20  1  0.77002100  0.95701600  0.42434500  1
  Cu  Cu21  1  0.27002100  0.04298400  0.07565500  1
  Cu  Cu22  1  0.23365000  0.33672000  0.77353400  1
  Cu  Cu23  1  0.26176800  0.62723600  0.41006600  1
  P  P24  1  0.33998400  0.36246100  0.59416500  1
  P  P25  1  0.17906900  0.69791300  0.22322600  1
  P  P26  1  0.32796300  0.96788400  0.92491100  1
  P  P27  1  0.82796300  0.03211600  0.57508900  1
  P  P28  1  0.67906900  0.30208700  0.27677400  1
  P  P29  1  0.83998400  0.63753900  0.90583500  1
  P  P30  1  0.16001600  0.36246100  0.09416500  1
  P  P31  1  0.32093100  0.69791300  0.72322600  1
  P  P32  1  0.17203700  0.96788400  0.42491100  1
  P  P33  1  0.67203700  0.03211600  0.07508900  1
  P  P34  1  0.82093100  0.30208700  0.77677400  1
  P  P35  1  0.66001600  0.63753900  0.40583500  1
  O  O36  1  0.49334400  0.55352900  0.39177100  1
  O  O37  1  0.14316700  0.58625800  0.32288900  1
  O  O38  1  0.20669800  0.92390000  0.00390500  1
  O  O39  1  0.64032900  0.82886200  0.12811300  1
  O  O40  1  0.78019900  0.47777000  0.46497900  1
  O  O41  1  0.00641000  0.74648700  0.17240500  1
  O  O42  1  0.24968200  0.24656700  0.68234600  1
  O  O43  1  0.72122900  0.12991500  0.79635600  1
  O  O44  1  0.49932100  0.86663500  0.96427300  1
  O  O45  1  0.38153600  0.24631600  0.54874800  1
  O  O46  1  0.79134700  0.41454900  0.30806300  1
  O  O47  1  0.74958600  0.10399600  0.63437200  1
  O  O48  1  0.29134700  0.58545100  0.19193700  1
  O  O49  1  0.24958600  0.89600400  0.86562800  1
  O  O50  1  0.88153600  0.75368400  0.95125200  1
  O  O51  1  0.99932100  0.13336500  0.53572700  1
  O  O52  1  0.22122900  0.87008500  0.70364400  1
  O  O53  1  0.50641000  0.25351300  0.32759500  1
  O  O54  1  0.74968200  0.75343300  0.81765400  1
  O  O55  1  0.28019900  0.52223000  0.03502100  1
  O  O56  1  0.14032900  0.17113800  0.37188700  1
  O  O57  1  0.70669800  0.07610000  0.49609500  1
  O  O58  1  0.64316700  0.41374200  0.17711100  1
  O  O59  1  0.99334400  0.44647100  0.10822900  1
  O  O60  1  0.00665600  0.55352900  0.89177100  1
  O  O61  1  0.35683300  0.58625800  0.82288900  1
  O  O62  1  0.29330200  0.92390000  0.50390500  1
  O  O63  1  0.85967100  0.82886200  0.62811300  1
  O  O64  1  0.71980100  0.47777000  0.96497900  1
  O  O65  1  0.25031800  0.24656700  0.18234600  1
  O  O66  1  0.49359000  0.74648700  0.67240500  1
  O  O67  1  0.77877100  0.12991500  0.29635600  1
  O  O68  1  0.00067900  0.86663500  0.46427300  1
  O  O69  1  0.11846400  0.24631600  0.04874800  1
  O  O70  1  0.75041400  0.10399600  0.13437200  1
  O  O71  1  0.70865300  0.41454900  0.80806300  1
  O  O72  1  0.25041400  0.89600400  0.36562800  1
  O  O73  1  0.20865300  0.58545100  0.69193700  1
  O  O74  1  0.61846400  0.75368400  0.45125200  1
  O  O75  1  0.50067900  0.13336500  0.03572700  1
  O  O76  1  0.27877100  0.87008500  0.20364400  1
  O  O77  1  0.75031800  0.75343300  0.31765400  1
  O  O78  1  0.99359000  0.25351300  0.82759500  1
  O  O79  1  0.21980100  0.52223000  0.53502100  1
  O  O80  1  0.35967100  0.17113800  0.87188700  1
  O  O81  1  0.79330200  0.07610000  0.99609500  1
  O  O82  1  0.85683300  0.41374200  0.67711100  1
  O  O83  1  0.50665600  0.44647100  0.60822900  1
