data_[Nb6Mo2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  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-6m2]
_cell_length_a [3.0746]
_cell_length_b [3.0746]
_cell_length_c [19.9464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Nb6Mo2W]
_chemical_formula_sum '[Nb6 Mo2 W1]'
_cell_volume [163.2977]
_cell_formula_units_Z [1]
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
[
  Nb  Nb0  2  0.0000  0.0000  0.2262  1
  Nb  Nb1  2  0.0000  0.0000  0.4342  1
  Nb  Nb2  2  0.3333  0.6667  0.8939  1
  Mo  Mo3  2  0.3333  0.6667  0.3308  1
  W  W4  1  0.0000  0.0000  0.0000  1
]