data_[Ta4Ti12Sb4]
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 [10.6940]
_cell_length_b [3.6141]
_cell_length_c [9.5715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaTi3Sb]
_chemical_formula_sum '[Ta4 Ti12 Sb4]'
_cell_volume [369.7819]
_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  0.1502  0.0000  0.4505  1
  Ti  Ti1  4  0.0411  0.5000  0.6396  1
  Ti  Ti2  4  0.0641  0.0000  0.1518  1
  Ti  Ti3  4  0.2493  0.0000  0.7389  1
  Sb  Sb4  4  0.1344  0.5000  0.9288  1
]