data_[Ba8Cd4Bi4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6821]
_cell_length_b [21.0787]
_cell_length_c [13.6818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CdBiTe5]
_chemical_formula_sum '[Ba8 Cd4 Bi4 Te20]'
_cell_volume [1350.2893]
_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
[
  Ba  Ba0  4  0.0000  0.1018  0.6816  1.0
  Ba  Ba1  4  0.0000  0.1234  0.3061  1.0
  Cd  Cd2  4  0.0000  0.4312  0.4404  1.0
  Bi  Bi3  4  0.0000  0.2245  0.0259  1.0
  Te  Te4  4  0.0000  0.0609  0.0544  1.0
  Te  Te5  4  0.0000  0.2700  0.6820  1.0
  Te  Te6  4  0.0000  0.2958  0.3647  1.0
  Te  Te7  4  0.0000  0.3645  0.9994  1.0
  Te  Te8  4  0.0000  0.4961  0.7694  1.0
]