data_[Fe12Ni8C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [6.2452]
_cell_length_b [6.2452]
_cell_length_c [6.2452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [213]
_chemical_formula_structural [Fe3Ni2C]
_chemical_formula_sum '[Fe12 Ni8 C4]'
_cell_volume [243.5733]
_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  12  0.0511  0.8750  0.6989  1
  Ni  Ni1  8  0.0628  0.0628  0.0628  1
  C  C2  4  0.1250  0.6250  0.8750  1
]