data_[In2Si2Pb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6843]
_cell_length_b [9.0849]
_cell_length_c [9.0473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [InSi(PbAu3)2]
_chemical_formula_sum '[In2 Si2 Pb4 Au12]'
_cell_volume [467.2205]
_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  0.0000  0.5000  0.7142  1.0
  Si  Si1  2  0.0000  0.0000  0.7674  1.0
  Pb  Pb2  4  0.0000  0.2364  0.2845  1.0
  Au  Au3  4  0.0000  0.2449  0.8854  1.0
  Au  Au4  4  0.2461  0.5000  0.9937  1.0
  Au  Au5  4  0.2498  0.0000  0.5453  1.0
]