# generated using pymatgen
data_LiCu(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57894289
_cell_length_b   7.57894289
_cell_length_c   4.78514510
_cell_angle_alpha   74.49965243
_cell_angle_beta   74.49965243
_cell_angle_gamma   91.76185050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu(PO3)2
_chemical_formula_sum   'Li2 Cu2 P4 O12'
_cell_volume   253.68065984
_cell_formula_units_Z   2
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  0.77171500  0.22828500  0.25000000  1
  Li  Li1  1  0.22828500  0.77171500  0.75000000  1
  Cu  Cu2  1  0.90109800  0.09890200  0.75000000  1
  Cu  Cu3  1  0.09890200  0.90109800  0.25000000  1
  P  P4  1  0.79920500  0.62934700  0.76296600  1
  P  P5  1  0.20079500  0.37065300  0.23703400  1
  P  P6  1  0.62934700  0.79920500  0.26296600  1
  P  P7  1  0.37065300  0.20079500  0.73703400  1
  O  O8  1  0.35583500  0.29211300  0.00868100  1
  O  O9  1  0.56730500  0.18694500  0.59891500  1
  O  O10  1  0.81305500  0.43269500  0.90108500  1
  O  O11  1  0.97505800  0.76334800  0.65021700  1
  O  O12  1  0.23665200  0.02494200  0.84978300  1
  O  O13  1  0.02494200  0.23665200  0.34978300  1
  O  O14  1  0.18694500  0.56730500  0.09891500  1
  O  O15  1  0.70788700  0.64416500  0.49131900  1
  O  O16  1  0.76334800  0.97505800  0.15021700  1
  O  O17  1  0.29211300  0.35583500  0.50868100  1
  O  O18  1  0.64416500  0.70788700  0.99131900  1
  O  O19  1  0.43269500  0.81305500  0.40108500  1
