data_[Sm12Ni4Rh2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1040]
_cell_length_b [12.3148]
_cell_length_c [8.3352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ni2RhI3]
_chemical_formula_sum '[Sm12 Ni4 Rh2 I6]'
_cell_volume [698.9789]
_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  0.2293  0.8316  0.1829  1.0
  Sm  Sm1  4  0.2242  0.5000  0.1828  1.0
  Ni  Ni2  4  0.0000  0.3334  0.0000  1.0
  Rh  Rh3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1667  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]