data_[K9Cr3Bi9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9787]
_cell_length_b [7.9787]
_cell_length_c [22.7179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3CrBi3S8]
_chemical_formula_sum '[K9 Cr3 Bi9 S24]'
_cell_volume [1252.4722]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Cr  Cr1  3  -0.0000  -0.0000  0.0000  1
  Bi  Bi2  9  0.0000  0.5000  0.0000  1
  S  S3  18  0.0421  0.5210  0.7281  1
  S  S4  6  0.0000  0.0000  0.2618  1
]