data_[Hf2Tl6Cd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [6.8154]
_cell_length_b [11.9061]
_cell_length_c [7.5053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTl3(CdS3)2]
_chemical_formula_sum '[Hf2 Tl6 Cd4 S12]'
_cell_volume [580.0390]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1682  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd3  4  0.0000  0.3347  0.0000  1.0
  S  S4  8  0.2246  0.8438  0.1991  1.0
  S  S5  4  0.2426  0.0000  0.7938  1.0
]