data_[Rb4Hg12Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.7743]
_cell_length_b [12.0865]
_cell_length_c [7.4685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbHg3Bi]
_chemical_formula_sum '[Rb4 Hg12 Bi4]'
_cell_volume [701.7729]
_cell_formula_units_Z [4]
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  0.0000  0.2362  0.2500  1.0
  Hg  Hg1  8  0.2339  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.1060  0.7500  1.0
  Bi  Bi3  4  0.0000  0.3557  0.7500  1.0
]