data_[In20Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3664]
_cell_length_b [6.3543]
_cell_length_c [7.9891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In5Hg2]
_chemical_formula_sum '[In20 Hg8]'
_cell_volume [780.0773]
_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
[
  In  In0  8  0.1427  0.1688  0.0208  1.0
  In  In1  8  0.2118  0.3808  0.6716  1.0
  In  In2  4  0.0000  0.3174  0.7500  1.0
  Hg  Hg3  8  0.0746  0.2499  0.3862  1.0
]