data_[Sm16Pb4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1714]
_cell_length_b [16.5798]
_cell_length_c [6.1409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4PbN]
_chemical_formula_sum '[Sm16 Pb4 N4]'
_cell_volume [712.1788]
_cell_formula_units_Z [4]
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  8  0.1624  0.2223  0.6624  1
  Sm  Sm1  8  0.2008  0.9419  0.6389  1
  Pb  Pb2  4  0.0000  0.3962  0.2500  1
  N  N3  4  0.0000  0.0013  0.7500  1
]