data_[Fe48W48C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.9159]
_cell_length_b [10.9159]
_cell_length_c [10.9159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Fe6W6C]
_chemical_formula_sum '[Fe48 W48 C8]'
_cell_volume [1300.6974]
_cell_formula_units_Z [8]
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  32  0.0784  0.0784  0.9216  1
  Fe  Fe1  16  0.1250  0.1250  0.1250  1
  W  W2  48  0.0000  0.0000  0.3015  1
  C  C3  8  0.0000  0.0000  0.5000  1
]