data_[Ta8Ti4Sb4]
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 [Ama2]
_cell_length_a [5.3062]
_cell_length_b [7.4033]
_cell_length_c [7.4273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Ta2TiSb]
_chemical_formula_sum '[Ta8 Ti4 Sb4]'
_cell_volume [291.7669]
_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  0.0000  0.0000  0.4915  1
  Ta  Ta1  4  0.2500  0.1233  0.1291  1
  Ti  Ti2  4  0.2500  0.3707  0.3796  1
  Sb  Sb3  4  0.2500  0.2396  0.7498  1
]