# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84281200
_cell_length_b   5.98945900
_cell_length_c   9.92529900
_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   347.33864656
_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  0.36443800  0.92534200  0.05267600  1
  Li  Li1  1  0.86443800  0.42534200  0.44732400  1
  Li  Li2  1  0.13556200  0.92534200  0.55267600  1
  Li  Li3  1  0.63556200  0.42534200  0.94732400  1
  Cu  Cu4  1  0.88059400  0.93002000  0.12104700  1
  Cu  Cu5  1  0.38059400  0.43002000  0.37895300  1
  Cu  Cu6  1  0.61940600  0.93002000  0.62104700  1
  Cu  Cu7  1  0.11940600  0.43002000  0.87895300  1
  P  P8  1  0.14873800  0.54053000  0.12992100  1
  P  P9  1  0.64873800  0.04053000  0.37007900  1
  P  P10  1  0.35126200  0.54053000  0.62992100  1
  P  P11  1  0.85126200  0.04053000  0.87007900  1
  O  O12  1  0.34736700  0.53408200  0.02157500  1
  O  O13  1  0.93084500  0.50724800  0.03960500  1
  O  O14  1  0.66771800  0.85544500  0.26259800  1
  O  O15  1  0.64915400  0.27631200  0.30356300  1
  O  O16  1  0.14915400  0.77631200  0.19643700  1
  O  O17  1  0.16771800  0.35544500  0.23740200  1
  O  O18  1  0.43084500  0.00724800  0.46039500  1
  O  O19  1  0.84736700  0.03408200  0.47842500  1
  O  O20  1  0.15263300  0.53408200  0.52157500  1
  O  O21  1  0.56915500  0.50724800  0.53960500  1
  O  O22  1  0.83228200  0.85544500  0.76259800  1
  O  O23  1  0.85084600  0.27631200  0.80356300  1
  O  O24  1  0.35084600  0.77631200  0.69643700  1
  O  O25  1  0.33228200  0.35544500  0.73740200  1
  O  O26  1  0.06915500  0.00724800  0.96039500  1
  O  O27  1  0.65263300  0.03408200  0.97842500  1
