data_[Sn8Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.3653]
_cell_length_b [6.3653]
_cell_length_c [12.9231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sn4BiTe3]
_chemical_formula_sum '[Sn8 Bi2 Te6]'
_cell_volume [523.6097]
_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
[
  Sn  Sn0  4  0.0000  0.0000  0.2496  1.0
  Sn  Sn1  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.5000  0.2500  1.0
  Te  Te4  2  0.0000  0.0000  0.5000  1.0
]