data_[Nb2Si12W4]
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 [C222]
_cell_length_a [4.7128]
_cell_length_b [8.1075]
_cell_length_c [6.5763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Nb(Si3W)2]
_chemical_formula_sum '[Nb2 Si12 W4]'
_cell_volume [251.2765]
_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
[
  Nb  Nb0  2  0.0000  0.5000  0.0000  1
  Si  Si1  8  0.2425  0.0813  0.6657  1
  Si  Si2  4  0.0000  0.1618  0.0000  1
  W  W3  4  0.2500  0.2500  0.3353  1
]