# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19733200
_cell_length_b   6.22966500
_cell_length_c   10.83288800
_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   350.74331807
_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  0.25070400  0.50983400  0.16667600  1
  Li  Li1  1  0.75070400  0.00983400  0.33332400  1
  Li  Li2  1  0.25070400  0.99016600  0.66667600  1
  Li  Li3  1  0.75070400  0.49016600  0.83332400  1
  Cu  Cu4  1  0.74388400  0.77120900  0.08708200  1
  Cu  Cu5  1  0.24388400  0.27120900  0.41291800  1
  Cu  Cu6  1  0.74388400  0.72879100  0.58708200  1
  Cu  Cu7  1  0.24388400  0.22879100  0.91291800  1
  P  P8  1  0.25004200  0.00552000  0.16965700  1
  P  P9  1  0.75004200  0.50552000  0.33034300  1
  P  P10  1  0.25004200  0.49448000  0.66965700  1
  P  P11  1  0.75004200  0.99448000  0.83034300  1
  O  O12  1  0.18968700  0.20481900  0.08797600  1
  O  O13  1  0.13087000  0.79849300  0.11594100  1
  O  O14  1  0.63606600  0.54564300  0.19905200  1
  O  O15  1  0.54459900  0.98171300  0.18096100  1
  O  O16  1  0.04459900  0.48171300  0.31903900  1
  O  O17  1  0.13606600  0.04564300  0.30094800  1
  O  O18  1  0.63087000  0.29849300  0.38405900  1
  O  O19  1  0.68968700  0.70481900  0.41202400  1
  O  O20  1  0.18968700  0.29518100  0.58797600  1
  O  O21  1  0.13087000  0.70150700  0.61594100  1
  O  O22  1  0.63606600  0.95435700  0.69905200  1
  O  O23  1  0.54459900  0.51828700  0.68096100  1
  O  O24  1  0.04459900  0.01828700  0.81903900  1
  O  O25  1  0.13606600  0.45435700  0.80094800  1
  O  O26  1  0.63087000  0.20150700  0.88405900  1
  O  O27  1  0.68968700  0.79518100  0.91202400  1
