# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90236521
_cell_length_b   4.90236521
_cell_length_c   4.90236521
_cell_angle_alpha   119.01645042
_cell_angle_beta   119.01645042
_cell_angle_gamma   91.71217069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li1 Cu1 P1 O4'
_cell_volume   84.50862920
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.00000000  1
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1
  P  P2  1  0.75000000  0.25000000  0.50000000  1
  O  O3  1  0.05897900  0.56326100  0.86520800  1
  O  O4  1  0.43673900  0.30194700  0.49571800  1
  O  O5  1  0.80622900  0.94102100  0.50428200  1
  O  O6  1  0.69805300  0.19377100  0.13479200  1
