data_[Sm3I7N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [8.4656]
_cell_length_b [8.4656]
_cell_length_c [8.1401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm3I7N]
_chemical_formula_sum '[Sm3 I7 N1]'
_cell_volume [505.2171]
_cell_formula_units_Z [1]
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  3  0.1463  0.2927  0.2405  1
  I  I1  3  0.3471  0.1736  0.9890  1
  I  I2  3  0.5012  0.0024  0.4611  1
  I  I3  1  0.3333  0.6667  0.0099  1
  N  N4  1  0.0000  0.0000  0.3032  1
]