data_[Fe1Si1C1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.9292]
_cell_length_b [3.6959]
_cell_length_c [4.1568]
_cell_angle_alpha [68.4550]
_cell_angle_beta [76.9154]
_cell_angle_gamma [83.8253]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FeSiCN]
_chemical_formula_sum '[Fe1 Si1 C1 N1]'
_cell_volume [40.7564]
_cell_formula_units_Z [1]
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  1  0.4391  0.7161  0.9748  1
  Si  Si1  1  0.8449  0.3168  0.3783  1
  C  C2  1  0.8612  0.9718  0.1117  1
  N  N3  1  0.6796  0.2604  0.8323  1
]