# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95424900
_cell_length_b   6.09126600
_cell_length_c   10.97190300
_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   331.10623199
_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  0.99177900  0.72538000  0.57013700  1
  Li  Li1  1  0.49177900  0.22538000  0.92986300  1
  Li  Li2  1  0.99177900  0.77462000  0.07013700  1
  Li  Li3  1  0.49177900  0.27462000  0.42986300  1
  Cu  Cu4  1  0.48545900  0.97360000  0.67257700  1
  Cu  Cu5  1  0.98545900  0.47360000  0.82742300  1
  Cu  Cu6  1  0.48545900  0.52640000  0.17257700  1
  Cu  Cu7  1  0.98545900  0.02640000  0.32742300  1
  P  P8  1  0.99705100  0.23088200  0.58594900  1
  P  P9  1  0.49705100  0.73088200  0.91405100  1
  P  P10  1  0.99705100  0.26911800  0.08594900  1
  P  P11  1  0.49705100  0.76911800  0.41405100  1
  O  O12  1  0.39396600  0.74837100  0.54778300  1
  O  O13  1  0.30979900  0.21777900  0.58764200  1
  O  O14  1  0.90829100  0.44305000  0.65352000  1
  O  O15  1  0.88457700  0.01938600  0.64741900  1
  O  O16  1  0.38457700  0.51938600  0.85258100  1
  O  O17  1  0.40829100  0.94305000  0.84648000  1
  O  O18  1  0.80979900  0.71777900  0.91235800  1
  O  O19  1  0.89396600  0.24837100  0.95221700  1
  O  O20  1  0.39396600  0.75162900  0.04778300  1
  O  O21  1  0.30979900  0.28222100  0.08764200  1
  O  O22  1  0.90829100  0.05695000  0.15352000  1
  O  O23  1  0.88457700  0.48061400  0.14741900  1
  O  O24  1  0.38457700  0.98061400  0.35258100  1
  O  O25  1  0.40829100  0.55695000  0.34648000  1
  O  O26  1  0.80979900  0.78222100  0.41235800  1
  O  O27  1  0.89396600  0.25162900  0.45221700  1
