data_[In3Hg1Pb7]
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 [6.8285]
_cell_length_b [6.8285]
_cell_length_c [8.6298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [In3HgPb7]
_chemical_formula_sum '[In3 Hg1 Pb7]'
_cell_volume [348.4841]
_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  3  0.0085  0.5042  0.2241  1.0
  Hg  Hg1  1  0.3333  0.6667  0.5484  1.0
  Pb  Pb2  3  0.1664  0.3329  0.8976  1.0
  Pb  Pb3  3  0.3302  0.1651  0.5309  1.0
  Pb  Pb4  1  0.6667  0.3333  0.8786  1.0
]