data_[Rb1Ba1Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.9960]
_cell_length_b [6.9960]
_cell_length_c [14.5844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [RbBaHg12]
_chemical_formula_sum '[Rb1 Ba1 Hg12]'
_cell_volume [713.8073]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.1964  0.5000  0.2458  1
  Hg  Hg3  2  0.5000  0.5000  0.0938  1
  Hg  Hg4  2  0.5000  0.5000  0.4034  1
]