data_[In4Sn2Hg8]
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-1]
_cell_length_a [6.1083]
_cell_length_b [7.0879]
_cell_length_c [9.5584]
_cell_angle_alpha [106.8127]
_cell_angle_beta [101.8505]
_cell_angle_gamma [94.9580]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2SnHg4]
_chemical_formula_sum '[In4 Sn2 Hg8]'
_cell_volume [382.9699]
_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  0.0154  0.2646  0.7675  1
  In  In1  2  0.3771  0.9635  0.8121  1
  Sn  Sn2  2  0.4858  0.5001  0.2466  1
  Hg  Hg3  2  0.1181  0.1529  0.1666  1
  Hg  Hg4  2  0.2213  0.6230  0.5029  1
  Hg  Hg5  2  0.2673  0.6644  0.0002  1
  Hg  Hg6  2  0.2758  0.1085  0.4925  1
]