data_[In24Sn2Hg32]
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 [Cm]
_cell_length_a [11.6142]
_cell_length_b [15.5462]
_cell_length_c [9.6944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In12SnHg16]
_chemical_formula_sum '[In24 Sn2 Hg32]'
_cell_volume [1562.9099]
_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  4  0.1719  0.3964  0.9967  1
  In  In1  4  0.2856  0.2939  0.8013  1
  In  In2  4  0.3210  0.1016  0.3830  1
  In  In3  4  0.4114  0.3966  0.6107  1
  In  In4  4  0.4797  0.3102  0.1791  1
  In  In5  2  0.0046  0.5000  0.2544  1
  In  In6  2  0.1802  0.0000  0.8313  1
  Sn  Sn7  2  0.4260  0.0000  0.7218  1
  Hg  Hg8  4  0.0950  0.3269  0.4449  1
  Hg  Hg9  4  0.1420  0.1532  0.0090  1
  Hg  Hg10  4  0.1640  0.1327  0.5745  1
  Hg  Hg11  4  0.2767  0.2886  0.2988  1
  Hg  Hg12  4  0.4080  0.1331  0.9996  1
  Hg  Hg13  4  0.4853  0.2085  0.7049  1
  Hg  Hg14  2  0.0490  0.0000  0.2995  1
  Hg  Hg15  2  0.1585  0.5000  0.6416  1
  Hg  Hg16  2  0.2848  0.5000  0.3075  1
  Hg  Hg17  2  0.4158  0.5000  0.9392  1
]