data_[Ta6Mo2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4059]
_cell_length_b [5.4279]
_cell_length_c [6.4562]
_cell_angle_alpha [72.6415]
_cell_angle_beta [72.6567]
_cell_angle_gamma [84.0527]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta3MoW]
_chemical_formula_sum '[Ta6 Mo2 W2]'
_cell_volume [172.5735]
_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  0.2885  0.0922  0.1539  1.0
  Ta  Ta1  2  0.2902  0.0942  0.6547  1.0
  Ta  Ta2  2  0.4983  0.4990  0.2496  1.0
  Mo  Mo3  2  0.0993  0.6924  0.0519  1.0
  W  W4  2  0.0987  0.6915  0.5525  1.0
]