data_[Ti8Nb4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9898]
_cell_length_b [15.2235]
_cell_length_c [6.7559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ti2NbSb2]
_chemical_formula_sum '[Ti8 Nb4 Sb8]'
_cell_volume [410.3477]
_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  0.0000  0.0264  0.2262  1.0
  Ti  Ti1  4  0.0000  0.1728  0.5797  1.0
  Nb  Nb2  4  0.0000  0.3670  0.3921  1.0
  Sb  Sb3  4  0.0000  0.2033  0.1631  1.0
  Sb  Sb4  4  0.0000  0.4504  0.0045  1.0
]