data_AsPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.39
_cell_angle_alpha   101.69
_cell_angle_beta   101.69
_cell_angle_gamma   41.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPd2Pb
_chemical_formula_sum   'As1 Pd2 Pb1'
_cell_volume   80.62
_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  0.91  0.0  0.32  1.0
  Pd  Pd2  1  0.79  0.0  0.08  1.0
  Pd  Pd3  1  0.34  0.0  0.64  1.0
  Pb  Pb1  1  0.46  0.0  0.11  1.0

data_AsPd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.8
_cell_length_c   5.39
_cell_angle_alpha   101.69
_cell_angle_beta   90.0
_cell_angle_gamma   110.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPd2Pb
_chemical_formula_sum   'As1 Pd2 Pb1'
_cell_volume   80.62
_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  0.09  0.68  1.0
  Pd  Pd1  1  0.0  0.21  0.92  1.0
  Pd  Pd2  1  0.0  0.66  0.36  1.0
  Pb  Pb3  1  0.0  0.54  0.89  1.0

As Pd Pd Pb