data_[Ta4Ti2Nb4]
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
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6793]
_cell_length_b [4.6486]
_cell_length_c [2.8622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2TiNb2]
_chemical_formula_sum '[Ta4 Ti2 Nb4]'
_cell_volume [180.0980]
_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  4  0.1998  0.0000  0.2728  1
  Ti  Ti1  2  0.0000  0.0000  0.5000  1
  Nb  Nb2  4  0.0987  0.5000  0.9134  1
]