data_[Ba6Cd1Rh1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.1968]
_cell_length_b [8.1968]
_cell_length_c [7.7295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [Ba6CdRhAu]
_chemical_formula_sum '[Ba6 Cd1 Rh1 Au1]'
_cell_volume [449.7505]
_cell_formula_units_Z [1]
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  6  0.0278  0.3518  0.7299  1.0
  Cd  Cd1  1  0.6667  0.3333  0.0000  1.0
  Rh  Rh2  1  0.3333  0.6667  0.5000  1.0
  Au  Au3  1  0.0000  0.0000  0.5000  1.0
]