data_[Ti16Bi4Sb2]
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 [C2/m]
_cell_length_a [14.1666]
_cell_length_b [4.6073]
_cell_length_c [7.1071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Bi2Sb]
_chemical_formula_sum '[Ti16 Bi4 Sb2]'
_cell_volume [414.1956]
_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
[
  Ti  Ti0  4  0.0319  0.0000  0.7556  1.0
  Ti  Ti1  4  0.0823  0.5000  0.4403  1.0
  Ti  Ti2  4  0.1488  0.0000  0.1946  1.0
  Ti  Ti3  4  0.1728  0.5000  0.8946  1.0
  Bi  Bi4  4  0.2053  0.0000  0.6478  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
]