data_[Ta2Ti28]
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
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.3483]
_cell_length_b [10.3483]
_cell_length_c [4.7816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [TaTi14]
_chemical_formula_sum '[Ta2 Ti28]'
_cell_volume [512.0467]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1
  Ti  Ti1  8  0.0369  0.6286  0.5000  1
  Ti  Ti2  8  0.0641  0.7300  0.0000  1
  Ti  Ti3  8  0.1795  0.1795  0.2521  1
  Ti  Ti4  4  0.1003  0.8997  0.5000  1
]