data_[K1B2Sb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  B  2.0400  0.8500  0.4100
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3084]
_cell_length_b [7.5011]
_cell_length_c [7.5259]
_cell_angle_alpha [73.9228]
_cell_angle_beta [70.9922]
_cell_angle_gamma [72.3886]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KB2(SbS3)2]
_chemical_formula_sum '[K1 B2 Sb2 S6]'
_cell_volume [314.5729]
_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  0.5000  0.5000  0.5000  1.0
  B  B1  2  0.1854  0.7662  0.0023  1.0
  Sb  Sb2  2  0.2234  0.2051  0.1353  1.0
  S  S3  2  0.0810  0.3082  0.8481  1.0
  S  S4  2  0.2220  0.8277  0.7486  1.0
  S  S5  2  0.3686  0.7973  0.1301  1.0
]