data_[In4Hg3Pb2]
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 [P3m1]
_cell_length_a [3.4457]
_cell_length_b [3.4457]
_cell_length_c [24.8031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [In4Hg3Pb2]
_chemical_formula_sum '[In4 Hg3 Pb2]'
_cell_volume [255.0306]
_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  1  0.0000  0.0000  0.5689  1.0
  In  In1  1  0.0000  0.0000  0.7758  1.0
  In  In2  1  0.3333  0.6667  0.2457  1.0
  In  In3  1  0.3333  0.6667  0.4576  1.0
  Hg  Hg4  1  0.0000  0.0000  0.3520  1.0
  Hg  Hg5  1  0.3333  0.6667  0.0167  1.0
  Hg  Hg6  1  0.3333  0.6667  0.6723  1.0
  Pb  Pb7  1  0.0000  0.0000  0.1290  1.0
  Pb  Pb8  1  0.0000  0.0000  0.9050  1.0
]