data_[In14Sn2Hg9]
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 [P-3]
_cell_length_a [8.2821]
_cell_length_b [8.2821]
_cell_length_c [12.1019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [In14Sn2Hg9]
_chemical_formula_sum '[In14 Sn2 Hg9]'
_cell_volume [718.8957]
_cell_formula_units_Z [1]
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  6  0.0579  0.6949  0.4289  1
  In  In1  6  0.0852  0.3960  0.0688  1
  In  In2  2  0.0000  0.0000  0.2498  1
  Sn  Sn3  2  0.3333  0.6667  0.2593  1
  Hg  Hg4  6  0.0857  0.6951  0.6881  1
  Hg  Hg5  2  0.3333  0.6667  0.8667  1
  Hg  Hg6  1  0.0000  0.0000  0.0000  1
]