data_[Tb4Ag6Bi2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1518]
_cell_length_b [4.0470]
_cell_length_c [7.7609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ag3BiS6]
_chemical_formula_sum '[Tb4 Ag6 Bi2 S12]'
_cell_volume [531.1050]
_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  4  0.1674  0.0000  0.3270  1.0
  Ag  Ag1  4  0.1730  0.0000  0.8127  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0023  0.0000  0.2577  1.0
  S  S5  4  0.1665  0.5000  0.0818  1.0
  S  S6  4  0.1692  0.5000  0.5730  1.0
]