data_[Rb6Sc3Au3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8731]
_cell_length_b [7.8731]
_cell_length_c [18.8442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2ScAuBr6]
_chemical_formula_sum '[Rb6 Sc3 Au3 Br18]'
_cell_volume [1011.5873]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.2488  1
  Rb  Rb1  3  0.0000  0.0000  0.7448  1
  Sc  Sc2  3  0.0000  0.0000  0.9973  1
  Au  Au3  3  0.0000  0.0000  0.4320  1
  Br  Br4  9  0.0388  0.5866  0.7635  1
  Br  Br5  9  0.1158  0.3492  0.5948  1
]