data_[Cs2Cd2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [10.3439]
_cell_length_b [4.6478]
_cell_length_c [11.1791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCdBiTe3]
_chemical_formula_sum '[Cs2 Cd2 Bi2 Te6]'
_cell_volume [506.7160]
_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
[
  Cs  Cs0  2  0.2093  0.2500  0.2492  1.0
  Cd  Cd1  2  0.0839  0.2500  0.6132  1.0
  Bi  Bi2  2  0.3322  0.7500  0.8734  1.0
  Te  Te3  2  0.1226  0.2500  0.8771  1.0
  Te  Te4  2  0.2115  0.7500  0.5428  1.0
  Te  Te5  2  0.4672  0.7500  0.1550  1.0
]