data_[Tb4Tl6Sb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0276]
_cell_length_b [12.1740]
_cell_length_c [7.8320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Tl3SbS6]
_chemical_formula_sum '[Tb4 Tl6 Sb2 S12]'
_cell_volume [639.4165]
_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  0.0000  0.3334  0.0000  1
  Tl  Tl1  4  0.0000  0.1677  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2329  0.8333  0.1987  1
  S  S5  4  0.2331  0.5000  0.2000  1
]