data_[In4Hg2Pb16]
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 [C2/m]
_cell_length_a [18.3643]
_cell_length_b [4.9278]
_cell_length_c [7.6127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2HgPb8]
_chemical_formula_sum '[In4 Hg2 Pb16]'
_cell_volume [669.6412]
_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  4  0.2290  0.0000  0.6326  1.0
  Hg  Hg1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  4  0.0429  0.0000  0.7309  1.0
  Pb  Pb3  4  0.0925  0.5000  0.4565  1.0
  Pb  Pb4  4  0.1367  0.0000  0.1810  1.0
  Pb  Pb5  4  0.1833  0.5000  0.9085  1.0
]