data_[In6Hg4]
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 [C2/m]
_cell_length_a [10.4673]
_cell_length_b [4.7432]
_cell_length_c [7.4812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In3Hg2]
_chemical_formula_sum '[In6 Hg4]'
_cell_volume [266.9937]
_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  0.0947  0.0000  0.2926  1.0
  In  In1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.2033  0.5000  0.1071  1.0
]