data_[In12Hg4Pb12]
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 [6.4930]
_cell_length_b [11.6714]
_cell_length_c [11.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In3HgPb3]
_chemical_formula_sum '[In12 Hg4 Pb12]'
_cell_volume [835.5131]
_cell_formula_units_Z [4]
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  8  0.2467  0.2308  0.2288  1
  In  In1  4  0.1784  0.5000  0.2707  1
  Hg  Hg2  4  0.0810  0.0000  0.1265  1
  Pb  Pb3  4  0.0000  0.2574  0.5000  1
  Pb  Pb4  4  0.0000  0.3594  0.0000  1
  Pb  Pb5  4  0.2271  0.0000  0.4234  1
]