data_[Ce2Th8Rh2]
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 [P222]
_cell_length_a [6.9709]
_cell_length_b [7.0255]
_cell_length_c [7.0275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [16]
_chemical_formula_structural [CeTh4Rh]
_chemical_formula_sum '[Ce2 Th8 Rh2]'
_cell_volume [344.1660]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.0000  1
  Ce  Ce1  1  0.5000  0.5000  0.0000  1
  Th  Th2  4  0.2043  0.3427  0.3100  1
  Th  Th3  4  0.3130  0.1533  0.7423  1
  Rh  Rh4  1  0.0000  0.0000  0.5000  1
  Rh  Rh5  1  0.0000  0.5000  0.0000  1
]