# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13138510
_cell_length_b   5.13138510
_cell_length_c   7.95378457
_cell_angle_alpha   86.55689550
_cell_angle_beta   86.55689550
_cell_angle_gamma   120.07217666
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li2 Cu2 P2 O8'
_cell_volume   179.92631368
_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  0.81691000  0.01107800  0.01734700  1
  Li  Li1  1  0.01107800  0.81691000  0.51734700  1
  Cu  Cu2  1  0.57004700  0.23911300  0.69203700  1
  Cu  Cu3  1  0.23911300  0.57004700  0.19203700  1
  P  P4  1  0.61459100  0.33679300  0.30076800  1
  P  P5  1  0.33679300  0.61459100  0.80076800  1
  O  O6  1  0.29865700  0.05890600  0.31713100  1
  O  O7  1  0.78538900  0.38821100  0.46462600  1
  O  O8  1  0.82829100  0.31518000  0.16124000  1
  O  O9  1  0.61323300  0.63905900  0.25544900  1
  O  O10  1  0.05890600  0.29865700  0.81713100  1
  O  O11  1  0.38821100  0.78538900  0.96462600  1
  O  O12  1  0.31518000  0.82829100  0.66124000  1
  O  O13  1  0.63905900  0.61323300  0.75544900  1
