data_[Ba12Rh2Au4Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8775]
_cell_length_b [8.7293]
_cell_length_c [13.9112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6RhAu2Cl]
_chemical_formula_sum '[Ba12 Rh2 Au4 Cl2]'
_cell_volume [809.6643]
_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  0.0898  0.5505  0.2409  1.0
  Ba  Ba1  4  0.2376  0.1943  0.0751  1.0
  Ba  Ba2  4  0.3832  0.6715  0.0668  1.0
  Rh  Rh3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.3083  0.6091  0.7558  1.0
  Cl  Cl5  2  0.5000  0.0000  0.0000  1.0
]