data_[In14Sn8Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7189]
_cell_length_b [6.1348]
_cell_length_c [9.9214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In7Sn4Hg]
_chemical_formula_sum '[In14 Sn8 Hg2]'
_cell_volume [676.2071]
_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  0.0002  0.0000  0.6670  1.0
  In  In1  4  0.2486  0.5000  0.9971  1.0
  In  In2  4  0.2496  0.0000  0.3339  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.0018  0.5000  0.6667  1.0
  Sn  Sn5  4  0.2466  0.5000  0.3326  1.0
  Hg  Hg6  2  0.0000  0.0000  0.0000  1.0
]