data_SnPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.01
_cell_angle_alpha   99.39
_cell_angle_beta   99.39
_cell_angle_gamma   38.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd2Pb
_chemical_formula_sum   'Sn1 Pd2 Pb1'
_cell_volume   82.72
_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
  Sn  Sn3  1  0.43  0.0  0.06  1.0
  Pd  Pd1  1  0.16  0.0  0.87  1.0
  Pd  Pd2  1  0.15  0.0  0.44  1.0
  Pb  Pb0  1  0.83  0.0  0.98  1.0

data_SnPd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.01
_cell_length_c   5.2
_cell_angle_alpha   99.39
_cell_angle_beta   109.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd2Pb
_chemical_formula_sum   'Sn1 Pd2 Pb1'
_cell_volume   82.72
_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
  Sn  Sn0  1  0.0  0.06  0.43  1.0
  Pd  Pd1  1  0.0  0.44  0.15  1.0
  Pd  Pd2  1  0.0  0.87  0.16  1.0
  Pb  Pb3  1  0.0  0.98  0.83  1.0

Sn Pd Pd Pb
Sn Pd Pd Pb 0 1 o o - 0 2 o o o 0 3 o o - 1 3 - o o 1 2 o o o 2 3 - o - 