data_[Ba12Rh4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [15.1739]
_cell_length_b [6.0317]
_cell_length_c [10.4043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6Rh2Au]
_chemical_formula_sum '[Ba12 Rh4 Au2]'
_cell_volume [833.6858]
_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
[
  Ba  Ba0  4  0.0194  0.0000  0.2036  1.0
  Ba  Ba1  4  0.1531  0.5000  0.5910  1.0
  Ba  Ba2  4  0.2030  0.5000  0.0876  1.0
  Rh  Rh3  4  0.1795  0.0000  0.1083  1.0
  Au  Au4  2  0.0000  0.0000  0.5000  1.0
]