data_[Sm16C4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6365]
_cell_length_b [7.3015]
_cell_length_c [6.4055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8C2N3]
_chemical_formula_sum '[Sm16 C4 N6]'
_cell_volume [559.8379]
_cell_formula_units_Z [2]
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  0.1256  0.2382  0.7627  1
  Sm  Sm1  4  0.1147  0.0000  0.2364  1
  Sm  Sm2  4  0.1198  0.5000  0.2147  1
  C  C3  4  0.2497  0.5000  0.0066  1
  N  N4  4  0.0000  0.2482  0.0000  1
  N  N5  2  0.0000  0.0000  0.5000  1
]