data_[As4Pb2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmm2]
_cell_length_a [3.5431]
_cell_length_b [5.4460]
_cell_length_c [9.5143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [As2PbAu]
_chemical_formula_sum '[As4 Pb2 Au2]'
_cell_volume [183.5822]
_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
[
  As  As0  2  0.0000  0.0000  0.9543  1
  As  As1  2  0.0000  0.5000  0.7574  1
  Pb  Pb2  2  0.0000  0.5000  0.2677  1
  Au  Au3  2  0.0000  0.0000  0.5207  1
]