data_[In2Sn2Hg2Pb6]
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 [P2_1/m]
_cell_length_a [7.7323]
_cell_length_b [4.8756]
_cell_length_c [9.8852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InSnHgPb3]
_chemical_formula_sum '[In2 Sn2 Hg2 Pb6]'
_cell_volume [351.1030]
_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  2  0.1909  0.2500  0.3030  1
  Sn  Sn1  2  0.4968  0.7500  0.8790  1
  Hg  Hg2  2  0.4987  0.2500  0.6242  1
  Pb  Pb3  2  0.1651  0.2500  0.7917  1
  Pb  Pb4  2  0.1739  0.7500  0.0509  1
  Pb  Pb5  2  0.1748  0.7500  0.5460  1
]