data_[Rb36In3Hg21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [18.8802]
_cell_length_b [18.8802]
_cell_length_c [11.2592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Rb12InHg7]
_chemical_formula_sum '[Rb36 In3 Hg21]'
_cell_volume [3475.7838]
_cell_formula_units_Z [3]
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  18  0.0196  0.4351  0.3308  1.0
  Rb  Rb1  18  0.0411  0.1651  0.2769  1.0
  In  In2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0443  0.1809  0.9424  1.0
  Hg  Hg4  3  0.0000  0.0000  0.5000  1.0
]