data_[In4Sn2Hg14Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8333]
_cell_length_b [5.8333]
_cell_length_c [19.6720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [In2SnHg7Pb2]
_chemical_formula_sum '[In4 Sn2 Hg14 Pb4]'
_cell_volume [669.3796]
_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  0.0000  0.3415  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.0000  0.5000  0.0811  1.0
  Hg  Hg3  4  0.0000  0.0000  0.1638  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb5  4  0.0000  0.5000  0.2500  1.0
]