data_[Sm12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [18.0979]
_cell_length_b [31.3464]
_cell_length_c [5.8607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SmN]
_chemical_formula_sum '[Sm12 N12]'
_cell_volume [3324.7951]
_cell_formula_units_Z [12]
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  0.0112  0.4360  0.0786  1
  Sm  Sm1  4  0.0961  0.4647  0.5905  1
  Sm  Sm2  4  0.4179  0.0350  0.0965  1
  N  N3  4  0.0076  0.4996  0.8487  1
  N  N4  4  0.0151  0.4147  0.6704  1
  N  N5  4  0.4520  0.0949  0.2814  1
]