data_[Fe48Mo48N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.0108]
_cell_length_b [11.0108]
_cell_length_c [11.0108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Fe3Mo3N]
_chemical_formula_sum '[Fe48 Mo48 N16]'
_cell_volume [1334.9116]
_cell_formula_units_Z [16]
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  0.0768  0.4232  0.5768  1
  Fe  Fe1  16  0.1250  0.1250  0.1250  1
  Mo  Mo2  48  0.0000  0.0000  0.2973  1
  N  N3  16  0.1250  0.1250  0.6250  1
]