data_[Rb8In4Hg4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.8694]
_cell_length_b [18.0869]
_cell_length_c [16.6874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2InHgI5]
_chemical_formula_sum '[Rb8 In4 Hg4 I20]'
_cell_volume [1771.5250]
_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  0.0809  0.7037  1.0
  Rb  Rb1  4  0.0000  0.1405  0.4127  1.0
  In  In2  4  0.0000  0.4433  0.4198  1.0
  Hg  Hg3  4  0.0000  0.2444  0.1080  1.0
  I  I4  4  0.0000  0.0733  0.9520  1.0
  I  I5  4  0.0000  0.2735  0.5967  1.0
  I  I6  4  0.0000  0.3127  0.2972  1.0
  I  I7  4  0.0000  0.4183  0.0462  1.0
  I  I8  4  0.0000  0.4474  0.7877  1.0
]