data_[In4Hg8H6]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9738]
_cell_length_b [5.3891]
_cell_length_c [7.2049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2Hg4H3]
_chemical_formula_sum '[In4 Hg8 H6]'
_cell_volume [380.3361]
_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  4  0.0116  0.0000  0.2761  1
  Hg  Hg1  4  0.1016  0.5000  0.6824  1
  Hg  Hg2  4  0.1873  0.5000  0.1177  1
  H  H3  4  0.2111  0.0000  0.3592  1
  H  H4  2  0.0000  0.0000  0.0000  1
]