data_[In2Hg6Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.7910]
_cell_length_b [6.9815]
_cell_length_c [9.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [InHg3Pb4]
_chemical_formula_sum '[In2 Hg6 Pb8]'
_cell_volume [463.0981]
_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  0.0000  0.4931  0.1845  1
  Hg  Hg1  4  0.2457  0.7518  0.4322  1
  Hg  Hg2  2  0.0000  0.0084  0.1831  1
  Pb  Pb3  4  0.2494  0.7508  0.9391  1
  Pb  Pb4  2  0.0000  0.0005  0.6877  1
  Pb  Pb5  2  0.0000  0.5022  0.6867  1
]