data_[As2Pb6Au2]
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 [P2_1/m]
_cell_length_a [8.3221]
_cell_length_b [4.0982]
_cell_length_c [9.0472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AsPb3Au]
_chemical_formula_sum '[As2 Pb6 Au2]'
_cell_volume [277.0671]
_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  0.1906  0.7500  0.2680  1
  Pb  Pb1  2  0.0149  0.7500  0.6530  1
  Pb  Pb2  2  0.2041  0.2500  0.0240  1
  Pb  Pb3  2  0.4170  0.2500  0.6466  1
  Au  Au4  2  0.3998  0.7500  0.8790  1
]