data_[Sm4Fe34N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [9.6393]
_cell_length_b [8.6438]
_cell_length_c [6.4308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Fe17N]
_chemical_formula_sum '[Sm4 Fe34 N2]'
_cell_volume [529.7095]
_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
[
  Sm  Sm0  4  0.1571  0.5000  0.3443  1.0
  Fe  Fe1  8  0.0982  0.2451  0.6541  1.0
  Fe  Fe2  8  0.1430  0.1426  0.2874  1.0
  Fe  Fe3  4  0.0000  0.2832  0.0000  1.0
  Fe  Fe4  4  0.0963  0.0000  0.9021  1.0
  Fe  Fe5  4  0.1585  0.5000  0.8498  1.0
  Fe  Fe6  4  0.2500  0.2500  0.0000  1.0
  Fe  Fe7  2  0.0000  0.0000  0.5000  1.0
  N  N8  2  0.0000  0.5000  0.0000  1.0
]