data_[Ce12Th4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3555]
_cell_length_b [4.4371]
_cell_length_c [8.7039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3ThRh2]
_chemical_formula_sum '[Ce12 Th4 Rh8]'
_cell_volume [557.9368]
_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  0.0666  0.0000  0.4289  1
  Ce  Ce1  4  0.1248  0.5000  0.6889  1
  Ce  Ce2  4  0.2110  0.5000  0.3822  1
  Th  Th3  4  0.1131  0.0000  0.0261  1
  Rh  Rh4  4  0.0195  0.5000  0.1841  1
  Rh  Rh5  4  0.2418  0.0000  0.8831  1
]