data_[Ce36Ge18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5962]
_cell_length_b [11.5962]
_cell_length_c [12.2828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce12Ge6Rh]
_chemical_formula_sum '[Ce36 Ge18 Rh3]'
_cell_volume [1430.4061]
_cell_formula_units_Z [3]
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  18  0.0550  0.8421  0.3734  1
  Ce  Ce1  18  0.0551  0.2063  0.8571  1
  Ge  Ge2  18  0.0025  0.5810  0.2578  1
  Rh  Rh3  3  0.0000  0.0000  0.0000  1
]