data_[Cr16Fe6N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9088]
_cell_length_b [3.9652]
_cell_length_c [5.9858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr8Fe3N8]
_chemical_formula_sum '[Cr16 Fe6 N16]'
_cell_volume [360.9025]
_cell_formula_units_Z [2]
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
[
  Cr  Cr0  4  0.0240  0.0000  0.2560  1
  Cr  Cr1  4  0.0906  0.5000  0.9600  1
  Cr  Cr2  4  0.1578  0.5000  0.4953  1
  Cr  Cr3  4  0.2095  0.0000  0.8090  1
  Fe  Fe4  4  0.1850  0.0000  0.2249  1
  Fe  Fe5  2  0.0000  0.5000  0.5000  1
  N  N6  4  0.0375  0.5000  0.2335  1
  N  N7  4  0.1015  0.0000  0.9313  1
  N  N8  4  0.1450  0.0000  0.4798  1
  N  N9  4  0.2039  0.5000  0.8381  1
]