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 [P6mm]
_cell_length_a [5.0022]
_cell_length_b [5.0022]
_cell_length_c [19.8683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [SmN]
_chemical_formula_sum '[Sm3 N3]'
_cell_volume [430.5344]
_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  2  0.3333  0.6667  0.4040  1
  Sm  Sm1  1  0.0000  0.0000  0.5329  1
  N  N2  2  0.3333  0.6667  0.5051  1
  N  N3  1  0.0000  0.0000  0.6490  1
]