data_Co2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   138.33
_cell_angle_beta   128.7
_cell_angle_gamma   68.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdPb
_chemical_formula_sum   'Co2 Pd1 Pb1'
_cell_volume   62.45
_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
  Co  Co0  1  0.77  0.0  0.21  1.0
  Co  Co1  1  0.0  0.0  0.82  1.0
  Pd  Pd3  1  0.0  0.0  0.27  1.0
  Pb  Pb2  1  0.77  0.0  0.03  1.0

data_Co2PdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.3
_cell_length_c   4.97
_cell_angle_alpha   115.65
_cell_angle_beta   110.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdPb
_chemical_formula_sum   'Co2 Pd1 Pb1'
_cell_volume   62.45
_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
  Co  Co0  1  0.0  0.21  0.45  1.0
  Co  Co1  1  0.0  0.82  0.82  1.0
  Pd  Pd2  1  0.0  0.27  0.27  1.0
  Pb  Pb3  1  0.0  0.03  0.27  1.0

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