data_[Fe6Ni45W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9711]
_cell_length_b [7.9711]
_cell_length_c [12.2627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Fe2Ni15W2]
_chemical_formula_sum '[Fe6 Ni45 W6]'
_cell_volume [674.7658]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.0959  1
  Ni  Ni1  18  0.0000  0.3198  0.0000  1
  Ni  Ni2  18  0.0043  0.5021  0.1573  1
  Ni  Ni3  9  0.0000  0.5000  0.5000  1
  W  W4  6  0.0000  0.0000  0.3007  1
]