data_[Bi10Sb2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.9315]
_cell_length_b [8.5968]
_cell_length_c [5.3863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Bi5SbI2]
_chemical_formula_sum '[Bi10 Sb2 I4]'
_cell_volume [690.5282]
_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
[
  Bi  Bi0  4  0.0533  0.3220  0.3721  1
  Bi  Bi1  4  0.3946  0.2406  0.6913  1
  Bi  Bi2  2  0.3835  0.0000  0.1329  1
  Sb  Sb3  2  0.4846  0.5000  0.9930  1
  I  I4  2  0.1594  0.0000  0.7318  1
  I  I5  2  0.2998  0.5000  0.2385  1
]