# generated using pymatgen
data_KPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90758708
_cell_length_b   7.09647106
_cell_length_c   7.09647155
_cell_angle_alpha   72.07381071
_cell_angle_beta   60.87663973
_cell_angle_gamma   60.87663977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPS3
_chemical_formula_sum   'K2 P2 S6'
_cell_volume   264.31806216
_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
  K  K0  1  -0.00000000  0.25549917  0.74450083  1.0
  K  K1  1  0.00000000  0.74450083  0.25549917  1.0
  P  P2  1  0.66066051  0.33933949  0.33933949  1.0
  P  P3  1  0.33933949  0.66066051  0.66066051  1.0
  S  S4  1  0.52759023  0.22851656  0.22851656  1.0
  S  S5  1  0.98462235  0.77148344  0.77148344  1.0
  S  S6  1  0.50000000  0.31353892  0.68646108  1.0
  S  S7  1  0.50000000  0.68646108  0.31353892  1.0
  S  S8  1  0.47240977  0.77148344  0.77148344  1.0
  S  S9  1  0.01537765  0.22851656  0.22851656  1.0