data_[Cd2Bi2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [4.2551]
_cell_length_b [5.4895]
_cell_length_c [8.5267]
_cell_angle_alpha [85.3939]
_cell_angle_beta [88.4646]
_cell_angle_gamma [87.8228]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdBiTe]
_chemical_formula_sum '[Cd2 Bi2 Te2]'
_cell_volume [198.3255]
_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
[
  Cd  Cd0  2  0.3273  0.6671  0.6337  1
  Bi  Bi1  2  0.2259  0.9034  0.3126  1
  Te  Te2  2  0.2567  0.3313  0.9005  1
]