data_[In7Hg4Pb1]
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 [P-3m1]
_cell_length_a [3.5748]
_cell_length_b [3.5748]
_cell_length_c [29.7475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [In7Hg4Pb]
_chemical_formula_sum '[In7 Hg4 Pb1]'
_cell_volume [329.2098]
_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  0.0000  0.0000  0.2491  1.0
  In  In1  2  0.3333  0.6667  0.5921  1.0
  In  In2  2  0.3333  0.6667  0.8374  1.0
  In  In3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.3333  0.6667  0.0810  1.0
  Hg  Hg5  2  0.3333  0.6667  0.3285  1.0
  Pb  Pb6  1  0.0000  0.0000  0.5000  1.0
]