data_[Rb6In16Hg6]
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 [Immm]
_cell_length_a [5.3637]
_cell_length_b [11.6032]
_cell_length_c [14.7160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Rb3In8Hg3]
_chemical_formula_sum '[Rb6 In16 Hg6]'
_cell_volume [915.8679]
_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  0.0000  0.0000  0.1823  1.0
  Rb  Rb1  2  0.0000  0.0000  0.5000  1.0
  In  In2  8  0.0000  0.2762  0.3743  1.0
  In  In3  8  0.0000  0.3618  0.1751  1.0
  Hg  Hg4  4  0.0000  0.2355  0.0000  1.0
  Hg  Hg5  2  0.0000  0.5000  0.5000  1.0
]