data_[Rb6Hg6]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5014]
_cell_length_b [18.7250]
_cell_length_c [6.4910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [RbHg]
_chemical_formula_sum '[Rb6 Hg6]'
_cell_volume [547.1223]
_cell_formula_units_Z [6]
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  4  0.5000  0.1713  0.5528  1.0
  Rb  Rb1  2  0.5000  0.0000  0.1565  1.0
  Hg  Hg2  4  0.0000  0.1511  0.0170  1.0
  Hg  Hg3  2  0.0000  0.0000  0.7060  1.0
]