# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31746566
_cell_length_b   5.31746566
_cell_length_c   6.22860846
_cell_angle_alpha   89.60492307
_cell_angle_beta   89.60492307
_cell_angle_gamma   93.50929051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li4 Cu2 P2 O8'
_cell_volume   175.77750959
_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  0.68296400  0.68296400  0.23994700  1
  Li  Li1  1  0.17873300  0.82126700  0.50000000  1
  Li  Li2  1  0.82126700  0.17873300  0.50000000  1
  Li  Li3  1  0.31703600  0.31703600  0.76005300  1
  Cu  Cu4  1  0.19094200  0.80905800  0.00000000  1
  Cu  Cu5  1  0.80905800  0.19094200  0.00000000  1
  P  P6  1  0.67600300  0.67600300  0.73442600  1
  P  P7  1  0.32399700  0.32399700  0.26557400  1
  O  O8  1  0.79136300  0.79136300  0.94457500  1
  O  O9  1  0.80179800  0.80179800  0.53188700  1
  O  O10  1  0.70686800  0.38547900  0.73295700  1
  O  O11  1  0.38547900  0.70686800  0.73295700  1
  O  O12  1  0.29313200  0.61452100  0.26704300  1
  O  O13  1  0.61452100  0.29313200  0.26704300  1
  O  O14  1  0.19820200  0.19820200  0.46811300  1
  O  O15  1  0.20863700  0.20863700  0.05542500  1
