data_[In14Hg10]
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 [15.9338]
_cell_length_b [3.6091]
_cell_length_c [13.3563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In7Hg5]
_chemical_formula_sum '[In14 Hg10]'
_cell_volume [660.3220]
_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  0.1296  0.5000  0.2511  1.0
  In  In1  4  0.1635  0.5000  0.9992  1.0
  In  In2  4  0.1999  0.5000  0.7531  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.0340  0.0000  0.7497  1.0
  Hg  Hg5  4  0.1696  0.5000  0.5047  1.0
  Hg  Hg6  2  0.0000  0.0000  0.0000  1.0
]