data_[Sm12C2N4Cl6]
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 [6.3578]
_cell_length_b [11.0119]
_cell_length_c [7.2709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6CN2Cl3]
_chemical_formula_sum '[Sm12 C2 N4 Cl6]'
_cell_volume [486.8636]
_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  0.2301  0.1678  0.1869  1.0
  Sm  Sm1  4  0.2266  0.5000  0.1867  1.0
  C  C2  2  0.0000  0.0000  0.0000  1.0
  N  N3  4  0.0000  0.3332  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1648  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]