data_AsPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.45
_cell_angle_alpha   106.33
_cell_angle_beta   106.33
_cell_angle_gamma   53.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPbAu2
_chemical_formula_sum   'As1 Pb1 Au2'
_cell_volume   92.19
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.83  0.0  0.06  1.0
  Au  Au1  1  0.27  0.0  0.22  1.0
  Au  Au2  1  0.39  0.0  0.9  1.0

data_AsPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.32
_cell_length_c   6.45
_cell_angle_alpha   106.33
_cell_angle_beta   90.0
_cell_angle_gamma   116.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPbAu2
_chemical_formula_sum   'As1 Pb1 Au2'
_cell_volume   92.19
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.17  0.94  1.0
  Au  Au2  1  0.0  0.61  0.1  1.0
  Au  Au3  1  0.0  0.73  0.78  1.0

As Pb Au Au
As Pb Au Au 0 1 - o o 0 2 o o o 0 3 o o - 1 2 + o o 1 3 o o - 2 3 o o - 