data_[Ta2Ti8W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1276]
_cell_length_b [7.0024]
_cell_length_c [7.0437]
_cell_angle_alpha [60.9608]
_cell_angle_beta [71.6227]
_cell_angle_gamma [80.8114]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaTi4W]
_chemical_formula_sum '[Ta2 Ti8 W2]'
_cell_volume [209.8326]
_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  2  0.1536  0.6990  0.8816  1
  Ti  Ti1  2  0.0164  0.8520  0.2251  1
  Ti  Ti2  2  0.2801  0.3698  0.2842  1
  Ti  Ti3  2  0.4023  0.9329  0.3880  1
  Ti  Ti4  2  0.4162  0.2274  0.9396  1
  W  W5  2  0.2425  0.5263  0.5821  1
]