data_[Si8Bi4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6454]
_cell_length_b [12.9970]
_cell_length_c [7.0831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2BiTe6]
_chemical_formula_sum '[Si8 Bi4 Te24]'
_cell_volume [1232.4209]
_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
[
  Si  Si0  8  0.1930  0.4289  0.7755  1.0
  Bi  Bi1  4  0.0000  0.1201  0.7500  1.0
  Te  Te2  8  0.1161  0.0864  0.1781  1.0
  Te  Te3  8  0.1316  0.4049  0.0910  1.0
  Te  Te4  8  0.1320  0.2761  0.5597  1.0
]