data_[Tb10Bi8S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.8072]
_cell_length_b [9.8072]
_cell_length_c [6.2368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tb5Bi4S]
_chemical_formula_sum '[Tb10 Bi8 S2]'
_cell_volume [599.8661]
_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
[
  Tb  Tb0  8  0.0988  0.2808  0.0017  1.0
  Tb  Tb1  2  0.0000  0.0000  0.4873  1.0
  Bi  Bi2  8  0.0922  0.3037  0.5018  1.0
  S  S3  2  0.0000  0.0000  0.0090  1.0
]