# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43572300
_cell_length_b   8.26096300
_cell_length_c   17.05961965
_cell_angle_alpha   63.15473415
_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   934.97439876
_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  0.76067200  0.86121100  0.59038900  1
  Li  Li1  1  0.72424700  0.17963100  0.22842000  1
  Li  Li2  1  0.76754700  0.46013500  0.91967800  1
  Li  Li3  1  0.26754700  0.53986500  0.58032200  1
  Li  Li4  1  0.22424700  0.82036900  0.27158000  1
  Li  Li5  1  0.26067200  0.13878900  0.90961100  1
  Li  Li6  1  0.73932800  0.86121100  0.09038900  1
  Li  Li7  1  0.77575300  0.17963100  0.72842000  1
  Li  Li8  1  0.73245300  0.46013500  0.41967800  1
  Li  Li9  1  0.23245300  0.53986500  0.08032200  1
  Li  Li10  1  0.27575300  0.82036900  0.77158000  1
  Li  Li11  1  0.23932800  0.13878900  0.40961100  1
  Cu  Cu12  1  0.48399000  0.21661200  0.06065400  1
  Cu  Cu13  1  0.52692700  0.83937700  0.41208100  1
  Cu  Cu14  1  0.39297000  0.50865600  0.75734700  1
  Cu  Cu15  1  0.89297000  0.49134400  0.74265300  1
  Cu  Cu16  1  0.02692700  0.16062300  0.08791900  1
  Cu  Cu17  1  0.98399000  0.78338800  0.43934600  1
  Cu  Cu18  1  0.01601000  0.21661200  0.56065400  1
  Cu  Cu19  1  0.97307300  0.83937700  0.91208100  1
  Cu  Cu20  1  0.10703000  0.50865600  0.25734700  1
  Cu  Cu21  1  0.60703000  0.49134400  0.24265300  1
  Cu  Cu22  1  0.47307300  0.16062300  0.58791900  1
  Cu  Cu23  1  0.51601000  0.78338800  0.93934600  1
  P  P24  1  0.17913900  0.86890900  0.59225800  1
  P  P25  1  0.31425300  0.18571400  0.22972800  1
  P  P26  1  0.18145600  0.47365600  0.92891200  1
  P  P27  1  0.68145600  0.52634400  0.57108800  1
  P  P28  1  0.81425300  0.81428600  0.27027200  1
  P  P29  1  0.67913900  0.13109100  0.90774200  1
  P  P30  1  0.32086100  0.86890900  0.09225800  1
  P  P31  1  0.18574700  0.18571400  0.72972800  1
  P  P32  1  0.31854400  0.47365600  0.42891200  1
  P  P33  1  0.81854400  0.52634400  0.07108800  1
  P  P34  1  0.68574700  0.81428600  0.77027200  1
  P  P35  1  0.82086100  0.13109100  0.40774200  1
  O  O36  1  0.99788600  0.05235000  0.38946000  1
  O  O37  1  0.86397800  0.32082900  0.12123300  1
  O  O38  1  0.69148000  0.97061100  0.46272700  1
  O  O39  1  0.78155200  0.62915100  0.79318100  1
  O  O40  1  0.31446700  0.43315000  0.00562800  1
  O  O41  1  0.48800200  0.24281800  0.17099000  1
  O  O42  1  0.36466600  0.08220000  0.32686000  1
  O  O43  1  0.26475900  0.73723400  0.68009000  1
  O  O44  1  0.00682300  0.35991100  0.96539100  1
  O  O45  1  0.13130000  0.76073200  0.54023300  1
  O  O46  1  0.26366100  0.40504400  0.86537800  1
  O  O47  1  0.19294900  0.07463400  0.19879800  1
  O  O48  1  0.76366100  0.59495600  0.63462200  1
  O  O49  1  0.69294900  0.92536600  0.30120200  1
  O  O50  1  0.63130000  0.23926800  0.95976700  1
  O  O51  1  0.50682300  0.64008900  0.53460900  1
  O  O52  1  0.76475900  0.26276600  0.81991000  1
  O  O53  1  0.86466600  0.91780000  0.17314000  1
  O  O54  1  0.98800200  0.75718200  0.32901000  1
  O  O55  1  0.28155200  0.37084900  0.70681900  1
  O  O56  1  0.81446700  0.56685000  0.49437200  1
  O  O57  1  0.19148000  0.02938900  0.03727300  1
  O  O58  1  0.36397800  0.67917100  0.37876700  1
  O  O59  1  0.49788600  0.94765000  0.11054000  1
  O  O60  1  0.50211400  0.05235000  0.88946000  1
  O  O61  1  0.63602200  0.32082900  0.62123300  1
  O  O62  1  0.80852000  0.97061100  0.96272700  1
  O  O63  1  0.18553300  0.43315000  0.50562800  1
  O  O64  1  0.71844800  0.62915100  0.29318100  1
  O  O65  1  0.01199800  0.24281800  0.67099000  1
  O  O66  1  0.13533400  0.08220000  0.82686000  1
  O  O67  1  0.23524100  0.73723400  0.18009000  1
  O  O68  1  0.49317700  0.35991100  0.46539100  1
  O  O69  1  0.36870000  0.76073200  0.04023300  1
  O  O70  1  0.30705100  0.07463400  0.69879800  1
  O  O71  1  0.23633900  0.40504400  0.36537800  1
  O  O72  1  0.80705100  0.92536600  0.80120200  1
  O  O73  1  0.73633900  0.59495600  0.13462200  1
  O  O74  1  0.86870000  0.23926800  0.45976700  1
  O  O75  1  0.99317700  0.64008900  0.03460900  1
  O  O76  1  0.73524100  0.26276600  0.31991000  1
  O  O77  1  0.63533400  0.91780000  0.67314000  1
  O  O78  1  0.51199800  0.75718200  0.82901000  1
  O  O79  1  0.68553300  0.56685000  0.99437200  1
  O  O80  1  0.21844800  0.37084900  0.20681900  1
  O  O81  1  0.30852000  0.02938900  0.53727300  1
  O  O82  1  0.13602200  0.67917100  0.87876700  1
  O  O83  1  0.00211400  0.94765000  0.61054000  1
