data_[Th36In18Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.2900]
_cell_length_b [11.2900]
_cell_length_c [16.3599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th6In3Rh]
_chemical_formula_sum '[Th36 In18 Rh6]'
_cell_volume [1805.9357]
_cell_formula_units_Z [6]
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
[
  Th  Th0  18  0.1033  0.5517  0.7689  1
  Th  Th1  18  0.1081  0.5540  0.0657  1
  In  In2  18  0.0775  0.5388  0.4162  1
  Rh  Rh3  3  -0.0000  -0.0000  0.5000  1
  Rh  Rh4  3  0.0000  0.0000  0.0000  1
]