# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26697300
_cell_length_b   4.58328200
_cell_length_c   15.00417800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   293.43281624
_cell_formula_units_Z   4
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  0.00000000  0.75000000  0.24705800  1.0
  Li  Li1  1  0.00000000  0.25000000  0.75294200  1.0
  Li  Li2  1  0.50000000  0.25000000  0.25294200  1.0
  Li  Li3  1  0.50000000  0.75000000  0.74705800  1.0
  Cu  Cu4  1  0.00000000  0.25000000  0.07105700  1.0
  Cu  Cu5  1  0.00000000  0.75000000  0.92894300  1.0
  Cu  Cu6  1  0.50000000  0.75000000  0.42894300  1.0
  Cu  Cu7  1  0.50000000  0.25000000  0.57105700  1.0
  P  P8  1  0.00000000  0.25000000  0.38640500  1.0
  P  P9  1  0.00000000  0.75000000  0.61359500  1.0
  P  P10  1  0.50000000  0.25000000  0.88640500  1.0
  P  P11  1  0.50000000  0.75000000  0.11359500  1.0
  O  O12  1  0.19013900  0.46709500  0.32754000  1.0
  O  O13  1  0.19013900  0.96709500  0.67246000  1.0
  O  O14  1  0.26574800  0.57798500  0.05443400  1.0
  O  O15  1  0.26574800  0.07798500  0.94556600  1.0
  O  O16  1  0.23425200  0.07798500  0.44556600  1.0
  O  O17  1  0.23425200  0.57798500  0.55443400  1.0
  O  O18  1  0.30986100  0.96709500  0.17246000  1.0
  O  O19  1  0.30986100  0.46709500  0.82754000  1.0
  O  O20  1  0.69013900  0.53290500  0.17246000  1.0
  O  O21  1  0.69013900  0.03290500  0.82754000  1.0
  O  O22  1  0.76574800  0.92201500  0.55443400  1.0
  O  O23  1  0.76574800  0.42201500  0.44556600  1.0
  O  O24  1  0.73425200  0.92201500  0.05443400  1.0
  O  O25  1  0.73425200  0.42201500  0.94556600  1.0
  O  O26  1  0.80986100  0.03290500  0.32754000  1.0
  O  O27  1  0.80986100  0.53290500  0.67246000  1.0