data_[Rb6Hg16Bi6]
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 [C2/m]
_cell_length_a [19.1317]
_cell_length_b [5.4079]
_cell_length_c [10.7372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Hg8Bi3]
_chemical_formula_sum '[Rb6 Hg16 Bi6]'
_cell_volume [931.9977]
_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  4  0.2024  0.5000  0.7074  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.0020  0.5000  0.6769  1
  Hg  Hg3  4  0.1434  0.0000  0.8626  1
  Hg  Hg4  4  0.1511  0.5000  0.0046  1
  Hg  Hg5  4  0.1565  0.0000  0.4408  1
  Bi  Bi6  4  0.1499  0.5000  0.2864  1
  Bi  Bi7  2  0.0000  0.0000  0.5000  1
]