data_[Sm3N3]
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 [P1]
_cell_length_a [4.4726]
_cell_length_b [16.9429]
_cell_length_c [16.9429]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SmN]
_chemical_formula_sum '[Sm3 N3]'
_cell_volume [1111.9047]
_cell_formula_units_Z [3]
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  1  0.1585  0.4783  0.3976  1
  Sm  Sm1  1  0.6236  0.4392  0.5334  1
  Sm  Sm2  1  0.8397  0.6324  0.5679  1
  N  N3  1  0.1073  0.5175  0.5596  1
  N  N4  1  0.1265  0.4211  0.4949  1
  N  N5  1  0.6445  0.5115  0.4466  1
]