data_[Fe28Si2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7204]
_cell_length_b [8.0578]
_cell_length_c [8.0665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Fe14SiW]
_chemical_formula_sum '[Fe28 Si2 W2]'
_cell_volume [371.8177]
_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
[
  Fe  Fe0  8  0.0000  0.2504  0.2484  1
  Fe  Fe1  8  0.2460  0.5000  0.2474  1
  Fe  Fe2  4  0.2500  0.2500  0.0000  1
  Fe  Fe3  4  0.2500  0.2500  0.5000  1
  Fe  Fe4  2  0.0000  0.0000  0.0000  1
  Fe  Fe5  2  0.0000  0.5000  0.0000  1
  Si  Si6  2  0.0000  0.5000  0.5000  1
  W  W7  2  0.0000  0.0000  0.5000  1
]