data_[Th6Ni27Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0018]
_cell_length_b [5.0018]
_cell_length_c [23.9054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2Ni9Rh]
_chemical_formula_sum '[Th6 Ni27 Rh3]'
_cell_volume [517.9424]
_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  6  0.0000  0.0000  0.1264  1
  Ni  Ni1  18  0.0019  0.5010  0.9191  1
  Ni  Ni2  6  0.0000  0.0000  0.3331  1
  Ni  Ni3  3  -0.0000  -0.0000  0.5000  1
  Rh  Rh4  3  0.0000  0.0000  0.0000  1
]