data_[Tb2Bi2S6]
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 [P2_1/m]
_cell_length_a [7.1329]
_cell_length_b [4.2369]
_cell_length_c [8.5362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbBiS3]
_chemical_formula_sum '[Tb2 Bi2 S6]'
_cell_volume [257.1799]
_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  2  0.2258  0.7500  0.9214  1
  Bi  Bi1  2  0.2708  0.2500  0.3805  1
  S  S2  2  0.0104  0.7500  0.1911  1
  S  S3  2  0.3414  0.7500  0.5908  1
  S  S4  2  0.3854  0.2500  0.0932  1
]