data_[Ta12Ti8Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8242]
_cell_length_b [4.8028]
_cell_length_c [7.8875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3Ti2Sb]
_chemical_formula_sum '[Ta12 Ti8 Sb4]'
_cell_volume [444.7822]
_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
[
  Ta  Ta0  4  0.0438  0.0000  0.7075  1
  Ta  Ta1  4  0.1167  0.5000  0.6211  1
  Ta  Ta2  4  0.2052  0.5000  0.0369  1
  Ti  Ti3  4  0.0459  0.5000  0.2179  1
  Ti  Ti4  4  0.2040  0.0000  0.5531  1
  Sb  Sb5  4  0.1388  0.0000  0.1488  1
]