data_[Tb4Tl4Cd4S12]
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
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0349]
_cell_length_b [4.0621]
_cell_length_c [9.0788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTlCdS3]
_chemical_formula_sum '[Tb4 Tl4 Cd4 S12]'
_cell_volume [610.3256]
_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
[
  Tb  Tb0  4  0.1716  0.0000  0.5914  1
  Tl  Tl1  4  0.1411  0.0000  0.0617  1
  Cd  Cd2  4  0.0019  0.5000  0.7148  1
  S  S3  4  0.1607  0.5000  0.7843  1
  S  S4  4  0.1647  0.5000  0.3755  1
  S  S5  2  0.0000  0.0000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]