data_[Rb6Hg2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [10.3756]
_cell_length_b [10.3756]
_cell_length_c [6.9947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Rb3HgAu3]
_chemical_formula_sum '[Rb6 Hg2 Au6]'
_cell_volume [652.1136]
_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
[
  Rb  Rb0  6  0.0474  0.6960  0.7500  1.0
  Hg  Hg1  2  0.3333  0.6667  0.2500  1.0
  Au  Au2  6  0.0505  0.6803  0.2500  1.0
]