data_[Cs4Bi4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.6352]
_cell_length_b [13.7894]
_cell_length_c [7.5012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [CsBiTe2]
_chemical_formula_sum '[Cs4 Bi4 Te8]'
_cell_volume [789.7737]
_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
[
  Cs  Cs0  4  0.0107  0.1239  0.5606  1.0
  Bi  Bi1  4  0.0273  0.3757  0.0115  1.0
  Te  Te2  4  0.0059  0.4024  0.6212  1.0
  Te  Te3  4  0.0931  0.8441  0.5564  1.0
]