data_[Ge2As2Pb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6597]
_cell_length_b [5.6216]
_cell_length_c [8.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.2696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GeAs(PbAu3)2]
_chemical_formula_sum '[Ge2 As2 Pb4 Au12]'
_cell_volume [454.6124]
_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
[
  Ge  Ge0  2  0.0000  0.5000  0.5000  1.0
  As  As1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.2466  0.5000  0.2171  1.0
  Au  Au3  8  0.0296  0.2490  0.7739  1.0
  Au  Au4  4  0.2491  0.5000  0.5916  1.0
]