data_[Ce4Tl6Cd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [7.0853]
_cell_length_b [12.2725]
_cell_length_c [7.8670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Tl3CdS6]
_chemical_formula_sum '[Ce4 Tl6 Cd2 S12]'
_cell_volume [652.7687]
_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
[
  Ce  Ce0  4  0.0000  0.3332  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1649  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2359  0.1685  0.2027  1.0
  S  S5  4  0.2309  0.5000  0.2006  1.0
]