data_CuPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.0
_cell_angle_alpha   102.87
_cell_angle_beta   102.87
_cell_angle_gamma   44.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPdPb2
_chemical_formula_sum   'Cu1 Pd1 Pb2'
_cell_volume   87.3
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.56  0.0  0.91  1.0
  Pb  Pb1  1  0.05  0.0  0.38  1.0
  Pb  Pb2  1  0.07  0.0  0.44  1.0

data_CuPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.63
_cell_length_c   6.0
_cell_angle_alpha   102.87
_cell_angle_beta   90.0
_cell_angle_gamma   112.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPdPb2
_chemical_formula_sum   'Cu1 Pd1 Pb2'
_cell_volume   87.3
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.44  0.09  1.0
  Pb  Pb2  1  0.0  0.93  0.56  1.0
  Pb  Pb3  1  0.0  0.95  0.62  1.0

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