data_Co2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   3.29
_cell_angle_alpha   91.2
_cell_angle_beta   91.2
_cell_angle_gamma   92.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PtPb
_chemical_formula_sum   'Co2 Pt1 Pb1'
_cell_volume   60.48
_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  0.43  0.45  0.64  1.0
  Co  Co1  1  0.43  0.55  0.64  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.96  0.0  0.0  1.0

data_Co2PtPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   92.7
_cell_angle_beta   91.2
_cell_angle_gamma   91.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PtPb
_chemical_formula_sum   'Co2 Pt1 Pb1'
_cell_volume   60.48
_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  0.64  0.43  0.45  1.0
  Co  Co1  1  0.64  0.43  0.55  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.96  0.0  1.0

Co Co Pt Pb
Co Co Pt Pb 0 1 o o o 2 3 - o o 