data_[Cd4Ga8Te4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6164]
_cell_length_b [10.9938]
_cell_length_c [6.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdGa2TeS6]
_chemical_formula_sum '[Cd4 Ga8 Te4 S24]'
_cell_volume [927.3783]
_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
[
  Cd  Cd0  4  0.0000  0.1103  0.2500  1.0
  Ga  Ga1  8  0.1933  0.4102  0.2388  1.0
  Te  Te2  4  0.0000  0.2611  0.7500  1.0
  S  S3  8  0.1094  0.0957  0.6440  1.0
  S  S4  8  0.1363  0.4298  0.5284  1.0
  S  S5  8  0.1414  0.2234  0.1033  1.0
]