data_[Sm12C6I2Cl4]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2218]
_cell_length_b [3.7844]
_cell_length_c [8.4651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6C3ICl2]
_chemical_formula_sum '[Sm12 C6 I2 Cl4]'
_cell_volume [539.2451]
_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  4  0.0155  0.0000  0.7083  1.0
  Sm  Sm1  4  0.1528  0.5000  0.6173  1.0
  Sm  Sm2  4  0.1835  0.5000  0.0485  1.0
  C  C3  4  0.1671  0.0000  0.8305  1.0
  C  C4  2  0.0000  0.5000  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1705  0.0000  0.3374  1.0
]