data_[In2Sn1Hg2Pb6]
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 [P-1]
_cell_length_a [6.0518]
_cell_length_b [6.2258]
_cell_length_c [9.4485]
_cell_angle_alpha [75.3426]
_cell_angle_beta [77.0107]
_cell_angle_gamma [88.7864]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2Sn(HgPb3)2]
_chemical_formula_sum '[In2 Sn1 Hg2 Pb6]'
_cell_volume [335.3595]
_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  2  0.2476  0.9665  0.5105  1.0
  Sn  Sn1  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.0818  0.8964  0.1885  1.0
  Pb  Pb3  2  0.1089  0.4090  0.1552  1.0
  Pb  Pb4  2  0.3884  0.8565  0.8686  1.0
  Pb  Pb5  2  0.4413  0.4186  0.6945  1.0
]