data_[Nb4Si4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8050]
_cell_length_b [3.4330]
_cell_length_c [8.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NbSiW]
_chemical_formula_sum '[Nb4 Si4 W4]'
_cell_volume [189.5468]
_cell_formula_units_Z [4]
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  4  0.0372  0.2500  0.6633  1.0
  Si  Si1  4  0.2443  0.7500  0.8567  1.0
  W  W2  4  0.1376  0.2500  0.0611  1.0
]