data_[Ti12Nb4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2578]
_cell_length_b [2.7733]
_cell_length_c [9.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti6Nb2W]
_chemical_formula_sum '[Ti12 Nb4 W2]'
_cell_volume [313.1797]
_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
[
  Ti  Ti0  4  0.0515  0.0000  0.7660  1
  Ti  Ti1  4  0.1112  0.5000  0.5539  1
  Ti  Ti2  4  0.2286  0.0000  0.1108  1
  Nb  Nb3  4  0.1652  0.5000  0.3245  1
  W  W4  2  0.0000  0.0000  0.0000  1
]