data_[In2Hg2Pb6]
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 [5.8337]
_cell_length_b [6.8104]
_cell_length_c [8.0433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InHgPb3]
_chemical_formula_sum '[In2 Hg2 Pb6]'
_cell_volume [301.3868]
_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  0.3867  0.2500  0.2782  1.0
  Hg  Hg1  2  0.0048  0.2500  0.4958  1.0
  Pb  Pb2  4  0.1906  0.0001  0.8773  1.0
  Pb  Pb3  2  0.3877  0.7500  0.2862  1.0
]