data_[Sm12Ir4Rh2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0502]
_cell_length_b [12.2141]
_cell_length_c [7.8412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ir2RhCl3]
_chemical_formula_sum '[Sm12 Ir4 Rh2 Cl6]'
_cell_volume [644.2004]
_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  0.2346  0.1669  0.2030  1
  Sm  Sm1  4  0.2337  0.5000  0.2029  1
  Ir  Ir2  4  0.0000  0.3333  0.0000  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.0000  0.1667  0.5000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]