data_[K2P1S5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7503]
_cell_length_b [6.7578]
_cell_length_c [6.8422]
_cell_angle_alpha [118.4629]
_cell_angle_beta [106.0445]
_cell_angle_gamma [95.9074]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2PS5]
_chemical_formula_sum '[K2 P1 S5]'
_cell_volume [253.3343]
_cell_formula_units_Z [1]
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  0.3023  0.6804  0.4741  1.0
  K  K1  1  0.8002  0.2470  0.5222  1.0
  P  P2  1  0.8577  0.9488  0.9053  1.0
  S  S3  1  0.1753  0.9261  0.0871  1.0
  S  S4  1  0.2799  0.1542  0.4383  1.0
  S  S5  1  0.6563  0.7644  0.9672  1.0
  S  S6  1  0.8446  0.7715  0.5642  1.0
  S  S7  1  0.8608  0.2847  0.0416  1.0
]