# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90395103
_cell_length_b   4.90395103
_cell_length_c   6.27371200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.44416986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li2 Cu2 P2 O8'
_cell_volume   141.37168694
_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  0.67431600  0.32568400  0.75000000  1
  Li  Li1  1  0.32568400  0.67431600  0.25000000  1
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1
  P  P4  1  0.65251700  0.34748300  0.25000000  1
  P  P5  1  0.34748300  0.65251700  0.75000000  1
  O  O6  1  0.75962200  0.24037800  0.04649500  1
  O  O7  1  0.75962200  0.24037800  0.45350500  1
  O  O8  1  0.31050900  0.24264400  0.25000000  1
  O  O9  1  0.24264400  0.31050900  0.75000000  1
  O  O10  1  0.75735600  0.68949100  0.25000000  1
  O  O11  1  0.68949100  0.75735600  0.75000000  1
  O  O12  1  0.24037800  0.75962200  0.95350500  1
  O  O13  1  0.24037800  0.75962200  0.54649500  1
