data_[Sm12B4C2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8206]
_cell_length_b [3.8589]
_cell_length_c [8.2453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6B2CCl3]
_chemical_formula_sum '[Sm12 B4 C2 Cl6]'
_cell_volume [538.3761]
_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  0.0104  0.0000  0.2147  1.0
  Sm  Sm1  4  0.1524  0.5000  0.1061  1.0
  Sm  Sm2  4  0.1774  0.5000  0.5565  1.0
  B  B3  4  0.1640  0.0000  0.3288  1.0
  C  C4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1669  0.0000  0.8335  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]