data_[In10Hg16]
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 [12.2298]
_cell_length_b [8.7327]
_cell_length_c [9.0670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.4010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In5Hg8]
_chemical_formula_sum '[In10 Hg16]'
_cell_volume [726.3622]
_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  0.0000  0.2974  0.5000  1
  In  In1  4  0.2396  0.5000  0.5192  1
  In  In2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  8  0.1701  0.2938  0.1966  1
  Hg  Hg4  4  0.0732  0.0000  0.7413  1
  Hg  Hg5  4  0.1128  0.5000  0.8635  1
]