data_[In12Sn2Hg4]
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 [11.4383]
_cell_length_b [5.3055]
_cell_length_c [8.1990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In6SnHg2]
_chemical_formula_sum '[In12 Sn2 Hg4]'
_cell_volume [487.7486]
_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  0.1080  0.5000  0.1714  1
  In  In1  4  0.1621  0.0000  0.4938  1
  In  In2  4  0.2142  0.5000  0.8341  1
  Sn  Sn3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  4  0.0587  0.0000  0.8386  1
]