data_[Ta8Ti16Nb12]
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/c]
_cell_length_a [13.3249]
_cell_length_b [9.8180]
_cell_length_c [4.9712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Ti4Nb3]
_chemical_formula_sum '[Ta8 Ti16 Nb12]'
_cell_volume [642.6749]
_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  8  0.1126  0.3753  0.8083  1
  Ti  Ti1  8  0.0560  0.1256  0.5254  1
  Ti  Ti2  8  0.2251  0.3736  0.3576  1
  Nb  Nb3  8  0.1651  0.1245  0.0810  1
  Nb  Nb4  4  0.0000  0.3745  0.2500  1
]