data_[K2Si2Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7827]
_cell_length_b [6.7177]
_cell_length_c [8.7937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSiSbS4]
_chemical_formula_sum '[K2 Si2 Sb2 S8]'
_cell_volume [381.3517]
_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  2  0.2781  0.7500  0.0538  1.0
  Si  Si1  2  0.2452  0.2500  0.3235  1.0
  Sb  Sb2  2  0.2372  0.7500  0.5071  1.0
  S  S3  4  0.0377  0.0001  0.2841  1.0
  S  S4  2  0.4316  0.2500  0.1746  1.0
  S  S5  2  0.4334  0.2500  0.5718  1.0
]