data_[Ba16Rh2Au4]
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 [31.2171]
_cell_length_b [4.7285]
_cell_length_c [8.0778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8RhAu2]
_chemical_formula_sum '[Ba16 Rh2 Au4]'
_cell_volume [1153.9176]
_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  0.0552  0.0000  0.8973  1.0
  Ba  Ba1  4  0.0580  0.5000  0.3634  1.0
  Ba  Ba2  4  0.1888  0.5000  0.8565  1.0
  Ba  Ba3  4  0.1908  0.0000  0.3575  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.2494  0.0000  0.7524  1.0
]