data_[In2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5963]
_cell_length_b [3.3363]
_cell_length_c [7.4292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InHg5]
_chemical_formula_sum '[In2 Hg10]'
_cell_volume [331.4949]
_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  0.2768  0.0000  0.0523  1.0
  Hg  Hg1  2  0.0016  0.0000  0.0025  1.0
  Hg  Hg2  2  0.1093  0.5000  0.7208  1.0
  Hg  Hg3  2  0.1654  0.5000  0.3360  1.0
  Hg  Hg4  2  0.3376  0.0000  0.6686  1.0
  Hg  Hg5  2  0.4427  0.5000  0.3866  1.0
]