data_[B8Te4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [14.0655]
_cell_length_b [11.6302]
_cell_length_c [5.9738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [B2TeS6]
_chemical_formula_sum '[B8 Te4 S24]'
_cell_volume [895.8292]
_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
[
  B  B0  8  0.2428  0.4466  0.6606  1
  Te  Te1  4  0.0000  0.1043  0.7500  1
  S  S2  8  0.1090  0.0756  0.2329  1
  S  S3  8  0.1780  0.4617  0.8847  1
  S  S4  8  0.2442  0.2768  0.6610  1
]