data_[Th24Ir9Rh3S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1561]
_cell_length_b [8.1561]
_cell_length_c [21.3169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th8Ir3RhS4]
_chemical_formula_sum '[Th24 Ir9 Rh3 S12]'
_cell_volume [1228.0660]
_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
[
  Th  Th0  18  0.0008  0.5004  0.7561  1
  Th  Th1  6  0.0000  0.0000  0.2436  1
  Ir  Ir2  9  0.0000  0.5000  0.5000  1
  Rh  Rh3  3  0.0000  0.0000  0.5000  1
  S  S4  9  0.0000  0.5000  0.0000  1
  S  S5  3  -0.0000  -0.0000  0.0000  1
]