data_[Ta8Ti6Nb8]
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 [29.6313]
_cell_length_b [4.6453]
_cell_length_c [2.8692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta4Ti3Nb4]
_chemical_formula_sum '[Ta8 Ti6 Nb8]'
_cell_volume [394.0793]
_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  0.0907  0.0000  0.6895  1
  Ta  Ta1  4  0.2267  0.5000  0.7969  1
  Ti  Ti2  4  0.1360  0.5000  0.1208  1
  Ti  Ti3  2  0.0000  0.0000  0.0000  1
  Nb  Nb4  4  0.0450  0.5000  0.3850  1
  Nb  Nb5  4  0.1815  0.0000  0.4623  1
]