data_[Fe10Si2B4W4]
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
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6597]
_cell_length_b [8.6597]
_cell_length_c [2.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Fe5Si(BW)2]
_chemical_formula_sum '[Fe10 Si2 B4 W4]'
_cell_volume [207.9419]
_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  0.0640  0.2126  0.5000  1.0
  Fe  Fe1  2  0.0000  0.5000  0.5000  1.0
  Si  Si2  2  0.0000  0.0000  0.0000  1.0
  B  B3  4  0.1225  0.3775  0.0000  1.0
  W  W4  4  0.1776  0.6776  0.0000  1.0
]