data_[Sm4Os4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1393]
_cell_length_b [3.5209]
_cell_length_c [6.4371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmOsN3]
_chemical_formula_sum '[Sm4 Os4 N12]'
_cell_volume [285.2844]
_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  4  0.1318  0.5000  0.3417  1
  Os  Os1  4  0.1443  0.0000  0.8608  1
  N  N2  4  0.0020  0.0000  0.1038  1
  N  N3  4  0.1756  0.5000  0.9989  1
  N  N4  4  0.1773  0.0000  0.5911  1
]