data_[K4B4Te8S24]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3664]
_cell_length_b [16.1965]
_cell_length_c [8.5593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KB(TeS3)2]
_chemical_formula_sum '[K4 B4 Te8 S24]'
_cell_volume [1085.4878]
_cell_formula_units_Z [4]
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  4  0.0000  0.0860  0.7500  1
  B  B1  4  0.0000  0.2434  0.2500  1
  Te  Te2  8  0.1120  0.6081  0.0716  1
  S  S3  8  0.1223  0.3111  0.1455  1
  S  S4  8  0.1224  0.1727  0.4373  1
  S  S5  8  0.1854  0.5075  0.4445  1
]