data_[Ce12Sm4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0153]
_cell_length_b [10.4472]
_cell_length_c [7.0139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3SmRh3]
_chemical_formula_sum '[Ce12 Sm4 Rh12]'
_cell_volume [660.5813]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  4  0.0000  0.1862  0.5000  1.0
  Ce  Ce1  4  0.0000  0.2480  0.0000  1.0
  Ce  Ce2  4  0.1398  0.5000  0.3905  1.0
  Sm  Sm3  4  0.2448  0.5000  0.8775  1.0
  Rh  Rh4  8  0.2399  0.2752  0.2327  1.0
  Rh  Rh5  4  0.0622  0.0000  0.7850  1.0
]