data_[Sm2Pb1C2N6]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1997]
_cell_length_b [5.3192]
_cell_length_c [6.3601]
_cell_angle_alpha [113.4503]
_cell_angle_beta [103.8867]
_cell_angle_gamma [100.3063]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm2Pb(CN3)2]
_chemical_formula_sum '[Sm2 Pb1 C2 N6]'
_cell_volume [149.0409]
_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  2  0.2415  0.6071  0.8158  1
  Pb  Pb1  1  0.5000  0.0000  0.5000  1
  C  C2  2  0.0153  0.0161  0.7428  1
  N  N3  2  0.1096  0.7667  0.1985  1
  N  N4  2  0.1402  0.2625  0.3990  1
  N  N5  2  0.3041  0.1070  0.8357  1
]