data_[Nb3Cr8W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8824]
_cell_length_b [4.8824]
_cell_length_c [8.0406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nb3Cr8W]
_chemical_formula_sum '[Nb3 Cr8 W1]'
_cell_volume [165.9891]
_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  1  0.0000  0.0000  0.0617  1.0
  Nb  Nb1  1  0.6667  0.3333  0.5559  1.0
  Nb  Nb2  1  0.6667  0.3333  0.9402  1.0
  Cr  Cr3  3  0.1632  0.3265  0.7482  1.0
  Cr  Cr4  3  0.5031  0.0062  0.2516  1.0
  Cr  Cr5  1  0.3333  0.6667  0.0005  1.0
  Cr  Cr6  1  0.3333  0.6667  0.4988  1.0
  W  W7  1  0.0000  0.0000  0.4433  1.0
]