data_[Ba18Rh3Au6S3]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0675]
_cell_length_b [8.0675]
_cell_length_c [22.5878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6RhAu2S]
_chemical_formula_sum '[Ba18 Rh3 Au6 S3]'
_cell_volume [1273.1540]
_cell_formula_units_Z [3]
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  9  0.0334  0.6954  0.2506  1.0
  Ba  Ba1  9  0.0372  0.3449  0.7542  1.0
  Rh  Rh2  3  0.0000  0.0000  0.1743  1.0
  Au  Au3  3  0.0000  0.0000  0.4854  1.0
  Au  Au4  3  0.0000  0.0000  0.9885  1.0
  S  S5  3  0.0000  0.0000  0.6753  1.0
]