data_[Ce12Sm4Rh8]
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 [16.2457]
_cell_length_b [4.5863]
_cell_length_c [8.4390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3SmRh2]
_chemical_formula_sum '[Ce12 Sm4 Rh8]'
_cell_volume [556.5566]
_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  0.0677  0.0000  0.4303  1.0
  Ce  Ce1  4  0.1241  0.5000  0.6943  1.0
  Ce  Ce2  4  0.2093  0.5000  0.3681  1.0
  Sm  Sm3  4  0.1107  0.0000  0.0284  1.0
  Rh  Rh4  4  0.0225  0.5000  0.1914  1.0
  Rh  Rh5  4  0.2401  0.0000  0.8833  1.0
]