data_[In6Hg2Pb6]
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 [P2_1/m]
_cell_length_a [8.9370]
_cell_length_b [5.8122]
_cell_length_c [9.0848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In3HgPb3]
_chemical_formula_sum '[In6 Hg2 Pb6]'
_cell_volume [413.4194]
_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  0.0270  0.7500  0.4134  1.0
  In  In1  2  0.1223  0.2500  0.0235  1.0
  In  In2  2  0.1670  0.7500  0.8363  1.0
  Hg  Hg3  2  0.4463  0.7500  0.6925  1.0
  Pb  Pb4  2  0.2644  0.2500  0.4493  1.0
  Pb  Pb5  2  0.3002  0.7500  0.2583  1.0
  Pb  Pb6  2  0.4022  0.2500  0.8796  1.0
]