data_[Y8Fe4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [10.6169]
_cell_length_b [4.9038]
_cell_length_c [6.5333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2FeN2]
_chemical_formula_sum '[Y8 Fe4 N8]'
_cell_volume [294.4318]
_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
[
  Y  Y0  4  0.0423  0.0000  0.2824  1
  Y  Y1  4  0.1797  0.5000  0.1028  1
  Fe  Fe2  4  0.1270  0.5000  0.6137  1
  N  N3  4  0.0155  0.5000  0.2783  1
  N  N4  4  0.1789  0.0000  0.0932  1
]