data_[In2Sn6Hg8]
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 [11.9502]
_cell_length_b [3.2596]
_cell_length_c [12.8994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InSn3Hg4]
_chemical_formula_sum '[In2 Sn6 Hg8]'
_cell_volume [453.0006]
_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  0.2386  0.0000  0.5046  1
  Sn  Sn1  2  0.0079  0.5000  0.5130  1
  Sn  Sn2  2  0.0325  0.0000  0.9912  1
  Sn  Sn3  2  0.3044  0.0000  0.0012  1
  Hg  Hg4  2  0.1377  0.0000  0.2484  1
  Hg  Hg5  2  0.1533  0.0000  0.7481  1
  Hg  Hg6  2  0.3892  0.5000  0.7365  1
  Hg  Hg7  2  0.4030  0.0000  0.2570  1
]