data_[In16Sn6Hg4]
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 [C2/m]
_cell_length_a [11.8097]
_cell_length_b [8.9190]
_cell_length_c [7.4846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In8Sn3Hg2]
_chemical_formula_sum '[In16 Sn6 Hg4]'
_cell_volume [770.5361]
_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  8  0.1226  0.2958  0.4252  1.0
  In  In1  4  0.1201  0.5000  0.7698  1.0
  In  In2  4  0.2350  0.0000  0.8022  1.0
  Sn  Sn3  4  0.0000  0.2935  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.1243  0.0000  0.1454  1.0
]