data_[In6Hg8Pb8]
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 [Amm2]
_cell_length_a [10.5479]
_cell_length_b [4.6010]
_cell_length_c [13.4280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [In3(HgPb)4]
_chemical_formula_sum '[In6 Hg8 Pb8]'
_cell_volume [651.6657]
_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  0.2719  0.0000  0.4132  1.0
  In  In1  2  0.0000  0.0000  0.2551  1.0
  Hg  Hg2  4  0.2760  0.0000  0.7651  1.0
  Hg  Hg3  2  0.0000  0.0000  0.9029  1.0
  Hg  Hg4  2  0.5000  0.0000  0.9180  1.0
  Pb  Pb5  4  0.2489  0.0000  0.1015  1.0
  Pb  Pb6  2  0.0000  0.0000  0.5665  1.0
  Pb  Pb7  2  0.5000  0.0000  0.5964  1.0
]