data_[In6Sn1Hg8]
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-3]
_cell_length_a [10.6687]
_cell_length_b [10.6687]
_cell_length_c [4.2473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [In6SnHg8]
_chemical_formula_sum '[In6 Sn1 Hg8]'
_cell_volume [418.6668]
_cell_formula_units_Z [1]
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  6  0.1063  0.6225  0.2685  1.0
  Sn  Sn1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  6  0.0430  0.2782  0.2069  1.0
  Hg  Hg3  2  0.3333  0.6667  0.7643  1.0
]