data_[In8Sn1Hg6]
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 [11.8302]
_cell_length_b [11.8302]
_cell_length_c [3.4483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [In8SnHg6]
_chemical_formula_sum '[In8 Sn1 Hg6]'
_cell_volume [417.9498]
_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  0.0733  0.2908  0.2223  1.0
  In  In1  2  0.3333  0.6667  0.7621  1.0
  Sn  Sn2  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  6  0.0990  0.6223  0.2732  1.0
]