data_[Fe8Ir8W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1928]
_cell_length_b [4.2609]
_cell_length_c [7.3239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2Ir2W]
_chemical_formula_sum '[Fe8 Ir8 W4]'
_cell_volume [273.7591]
_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
[
  Fe  Fe0  4  0.0415  0.5000  0.8574  1
  Fe  Fe1  4  0.1323  0.5000  0.5785  1
  Ir  Ir2  4  0.0611  0.0000  0.3542  1
  Ir  Ir3  4  0.1628  0.0000  0.0373  1
  W  W4  4  0.2438  0.5000  0.2811  1
]