# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.54703677
_cell_length_b   10.54703677
_cell_length_c   12.35567300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li12 Cu12 P12 O48'
_cell_volume   1190.30411959
_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  0.00000000  0.50000000  0.00934400  1
  Li  Li1  1  0.00000000  0.50000000  0.65732200  1
  Li  Li2  1  0.00000000  0.50000000  0.33333300  1
  Li  Li3  1  0.00000000  0.00000000  0.16666700  1
  Li  Li4  1  0.00000000  0.00000000  0.50000000  1
  Li  Li5  1  0.00000000  0.00000000  0.83333300  1
  Li  Li6  1  0.50000000  0.50000000  0.34267800  1
  Li  Li7  1  0.50000000  0.50000000  0.66666700  1
  Li  Li8  1  0.50000000  0.50000000  0.99065600  1
  Li  Li9  1  0.50000000  0.00000000  0.32398900  1
  Li  Li10  1  0.50000000  0.00000000  0.00000000  1
  Li  Li11  1  0.50000000  0.00000000  0.67601100  1
  Cu  Cu12  1  0.00000000  0.74367400  0.83333300  1
  Cu  Cu13  1  0.00000000  0.25632600  0.83333300  1
  Cu  Cu14  1  0.24817700  0.75182300  0.16666700  1
  Cu  Cu15  1  0.24817700  0.49635500  0.50000000  1
  Cu  Cu16  1  0.50364500  0.75182300  0.83333300  1
  Cu  Cu17  1  0.25632600  0.25632600  0.16666700  1
  Cu  Cu18  1  0.25632600  0.00000000  0.50000000  1
  Cu  Cu19  1  0.74367400  0.74367400  0.16666700  1
  Cu  Cu20  1  0.49635500  0.24817700  0.83333300  1
  Cu  Cu21  1  0.75182300  0.50364500  0.50000000  1
  Cu  Cu22  1  0.75182300  0.24817700  0.16666700  1
  Cu  Cu23  1  0.74367400  0.00000000  0.50000000  1
  P  P24  1  0.00000000  0.75643000  0.33333300  1
  P  P25  1  0.24828500  0.75171500  0.66666700  1
  P  P26  1  0.00000000  0.24357000  0.33333300  1
  P  P27  1  0.24828500  0.49657000  0.00000000  1
  P  P28  1  0.24357000  0.24357000  0.66666700  1
  P  P29  1  0.50343000  0.75171500  0.33333300  1
  P  P30  1  0.24357000  0.00000000  0.00000000  1
  P  P31  1  0.49657000  0.24828500  0.33333300  1
  P  P32  1  0.75643000  0.75643000  0.66666700  1
  P  P33  1  0.75171500  0.50343000  0.00000000  1
  P  P34  1  0.75171500  0.24828500  0.66666700  1
  P  P35  1  0.75643000  0.00000000  0.00000000  1
  O  O36  1  0.07233400  0.88084800  0.41815200  1
  O  O37  1  0.11915200  0.92766600  0.91518100  1
  O  O38  1  0.10226800  0.69839200  0.72769000  1
  O  O39  1  0.10748900  0.71512400  0.27916900  1
  O  O40  1  0.28487600  0.89251100  0.05416400  1
  O  O41  1  0.30160800  0.89773200  0.60564400  1
  O  O42  1  0.20467100  0.61857700  0.59247800  1
  O  O43  1  0.10226800  0.40387600  0.93897700  1
  O  O44  1  0.20467100  0.58609400  0.07418800  1
  O  O45  1  0.10748900  0.39236400  0.38749700  1
  O  O46  1  0.07233400  0.19148500  0.24851400  1
  O  O47  1  0.38142300  0.79532900  0.74085500  1
  O  O48  1  0.41390600  0.79532900  0.25914500  1
  O  O49  1  0.11915200  0.19148500  0.75148600  1
  O  O50  1  0.28487600  0.39236400  0.61250300  1
  O  O51  1  0.38142300  0.58609400  0.92581200  1
  O  O52  1  0.30160800  0.40387600  0.06102300  1
  O  O53  1  0.41390600  0.61857700  0.40752200  1
  O  O54  1  0.19148500  0.11915200  0.58184800  1
  O  O55  1  0.19148500  0.07233400  0.08481900  1
  O  O56  1  0.59612400  0.89773200  0.39435600  1
  O  O57  1  0.60763600  0.89251100  0.94583600  1
  O  O58  1  0.60763600  0.71512400  0.72083100  1
  O  O59  1  0.40387600  0.30160800  0.27231000  1
  O  O60  1  0.59612400  0.69839200  0.27231000  1
  O  O61  1  0.39236400  0.28487600  0.72083100  1
  O  O62  1  0.39236400  0.10748900  0.94583600  1
  O  O63  1  0.40387600  0.10226800  0.39435600  1
  O  O64  1  0.80851500  0.92766600  0.08481900  1
  O  O65  1  0.80851500  0.88084800  0.58184800  1
  O  O66  1  0.58609400  0.38142300  0.40752200  1
  O  O67  1  0.69839200  0.59612400  0.06102300  1
  O  O68  1  0.61857700  0.41390600  0.92581200  1
  O  O69  1  0.71512400  0.60763600  0.61250300  1
  O  O70  1  0.88084800  0.80851500  0.75148600  1
  O  O71  1  0.58609400  0.20467100  0.25914500  1
  O  O72  1  0.61857700  0.20467100  0.74085500  1
  O  O73  1  0.92766600  0.80851500  0.24851400  1
  O  O74  1  0.89251100  0.60763600  0.38749700  1
  O  O75  1  0.79532900  0.41390600  0.07418800  1
  O  O76  1  0.89773200  0.59612400  0.93897700  1
  O  O77  1  0.79532900  0.38142300  0.59247800  1
  O  O78  1  0.69839200  0.10226800  0.60564400  1
  O  O79  1  0.71512400  0.10748900  0.05416400  1
  O  O80  1  0.89251100  0.28487600  0.27916900  1
  O  O81  1  0.89773200  0.30160800  0.72769000  1
  O  O82  1  0.88084800  0.07233400  0.91518100  1
  O  O83  1  0.92766600  0.11915200  0.41815200  1
