data_AsPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   3.67
_cell_angle_alpha   92.27
_cell_angle_beta   92.27
_cell_angle_gamma   99.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPdPb2
_chemical_formula_sum   'As1 Pd1 Pb2'
_cell_volume   93.54
_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
  Pd  Pd3  1  0.3  0.0  0.0  1.0
  Pb  Pb1  1  0.54  0.94  0.83  1.0
  Pb  Pb2  1  0.54  0.06  0.83  1.0

data_AsPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   99.29
_cell_angle_beta   92.27
_cell_angle_gamma   92.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPdPb2
_chemical_formula_sum   'As1 Pd1 Pb2'
_cell_volume   93.54
_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
  Pd  Pd1  1  -0.0  0.3  0.0  1.0
  Pb  Pb2  1  0.83  0.54  0.06  1.0
  Pb  Pb3  1  0.83  0.54  0.94  1.0

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