data_AsPdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   147.19
_cell_angle_beta   147.19
_cell_angle_gamma   47.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPdPb
_chemical_formula_sum   'As1 Pd1 Pb1'
_cell_volume   63.93
_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  0.43  1.0
  Pd  Pd2  1  0.0  0.0  0.02  1.0
  Pb  Pb1  1  0.0  0.0  0.59  1.0

data_AsPdPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   113.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsPdPb
_chemical_formula_sum   'As2 Pd2 Pb2'
_cell_volume   127.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.43  0.0  0.43  1.0
  Pd  Pd1  2  0.02  0.0  0.02  1.0
  Pb  Pb2  2  0.09  0.5  0.59  1.0

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