data_[In8Sn2Hg2]
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 [5.4621]
_cell_length_b [6.9281]
_cell_length_c [10.0412]
_cell_angle_alpha [97.4256]
_cell_angle_beta [104.4099]
_cell_angle_gamma [108.0136]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In4SnHg]
_chemical_formula_sum '[In8 Sn2 Hg2]'
_cell_volume [341.1005]
_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  0.0190  0.9284  0.6611  1.0
  In  In1  2  0.1384  0.4480  0.8349  1.0
  In  In2  2  0.4044  0.8384  0.1054  1.0
  In  In3  2  0.4766  0.5899  0.3590  1.0
  Sn  Sn4  2  0.2200  0.2208  0.0950  1.0
  Hg  Hg5  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg6  1  0.5000  0.0000  0.5000  1.0
]