data_[Bi14Sb2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5572]
_cell_length_b [9.0860]
_cell_length_c [7.8780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Bi7Sb]
_chemical_formula_sum '[Bi14 Sb2]'
_cell_volume [573.9540]
_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  0.2660  0.2483  0.2381  1
  Bi  Bi1  4  0.4680  0.2458  0.7065  1
  Bi  Bi2  2  0.2672  0.5000  0.7423  1
  Bi  Bi3  2  0.4659  0.0000  0.1910  1
  Bi  Bi4  2  0.4717  0.5000  0.2106  1
  Sb  Sb5  2  0.2680  0.0000  0.7349  1
]