data_[In8Sn4Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9390]
_cell_length_b [6.0367]
_cell_length_c [23.8992]
_cell_angle_alpha [92.6461]
_cell_angle_beta [92.4491]
_cell_angle_gamma [110.3268]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In4Sn2Hg9]
_chemical_formula_sum '[In8 Sn4 Hg18]'
_cell_volume [801.0429]
_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
[
  In  In0  2  0.0233  0.9087  0.6483  1
  In  In1  2  0.1159  0.7866  0.5070  1
  In  In2  2  0.3067  0.6346  0.0080  1
  In  In3  2  0.4426  0.4759  0.1480  1
  Sn  Sn4  2  0.3410  0.6573  0.2930  1
  Sn  Sn5  2  0.3420  0.9509  0.1865  1
  Hg  Hg6  2  0.0472  0.4166  0.8938  1
  Hg  Hg7  2  0.0556  0.7747  0.7852  1
  Hg  Hg8  2  0.0693  0.4212  0.6133  1
  Hg  Hg9  2  0.1638  0.3006  0.7524  1
  Hg  Hg10  2  0.2112  0.1045  0.0473  1
  Hg  Hg11  2  0.2861  0.0014  0.9072  1
  Hg  Hg12  2  0.3987  0.2822  0.4485  1
  Hg  Hg13  2  0.4815  0.2003  0.5826  1
  Hg  Hg14  2  0.4995  0.2151  0.3095  1
]