data_[Ti8Bi4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [8.2582]
_cell_length_b [7.1532]
_cell_length_c [6.2608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Ti2BiSb]
_chemical_formula_sum '[Ti8 Bi4 Sb4]'
_cell_volume [369.8416]
_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
[
  Ti  Ti0  4  0.1116  0.2500  0.0000  1.0
  Ti  Ti1  4  0.3594  0.7500  0.0000  1.0
  Bi  Bi2  4  0.3768  0.0900  0.2500  1.0
  Sb  Sb3  4  0.1244  0.5768  0.2500  1.0
]