data_[Sm12Cu2Rh4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  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 [7.2017]
_cell_length_b [12.4995]
_cell_length_c [8.3884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6CuRh2I3]
_chemical_formula_sum '[Sm12 Cu2 Rh4 I6]'
_cell_volume [723.3553]
_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  0.2327  0.1705  0.1868  1.0
  Sm  Sm1  4  0.2211  0.5000  0.1864  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  4  0.0000  0.3332  0.0000  1.0
  I  I4  4  0.0000  0.1657  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]