data_[Ti2Nb6W2]
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 [P2_1/m]
_cell_length_a [2.8862]
_cell_length_b [9.3467]
_cell_length_c [7.0369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiNb3W]
_chemical_formula_sum '[Ti2 Nb6 W2]'
_cell_volume [189.7295]
_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  2  0.2623  0.2500  0.8564  1
  Nb  Nb1  4  0.1926  0.0004  0.2876  1
  Nb  Nb2  2  0.4897  0.7500  0.4941  1
  W  W3  2  0.1938  0.7500  0.8342  1
]