data_[Sm12C4N2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3949]
_cell_length_b [11.0788]
_cell_length_c [7.3060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6C2NCl3]
_chemical_formula_sum '[Sm12 C4 N2 Cl6]'
_cell_volume [495.0550]
_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  0.2286  0.8344  0.1891  1.0
  Sm  Sm1  4  0.2320  0.5000  0.1893  1.0
  C  C2  4  0.0000  0.3335  0.0000  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1687  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]