data_[Ti12Sn2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7623]
_cell_length_b [6.2043]
_cell_length_c [9.7222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti6SnSb]
_chemical_formula_sum '[Ti12 Sn2 Sb2]'
_cell_volume [287.2599]
_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  0.0000  0.2332  0.6577  1.0
  Ti  Ti1  4  0.5000  0.2307  0.8431  1.0
  Ti  Ti2  2  0.0000  0.0000  0.3800  1.0
  Ti  Ti3  2  0.5000  0.0000  0.1189  1.0
  Sn  Sn4  2  0.5000  0.0000  0.5789  1.0
  Sb  Sb5  2  0.0000  0.0000  0.9209  1.0
]