data_[Th12Rh10Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2225]
_cell_length_b [12.3790]
_cell_length_c [7.1674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Rh5Au]
_chemical_formula_sum '[Th12 Rh10 Au2]'
_cell_volume [604.9503]
_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
[
  Th  Th0  8  0.2387  0.3259  0.7405  1
  Th  Th1  4  0.2342  0.5000  0.2519  1
  Rh  Rh2  4  0.0000  0.1597  0.5000  1
  Rh  Rh3  4  0.0000  0.3315  0.0000  1
  Rh  Rh4  2  0.0000  0.5000  0.5000  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]