data_Cu2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.75
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   92.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PtPb
_chemical_formula_sum   'Cu2 Pt1 Pb1'
_cell_volume   67.18
_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  0.45  0.88  0.24  1.0
  Cu  Cu1  1  0.33  0.88  0.64  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.86  0.0  0.94  1.0

data_Cu2PtPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.75
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   92.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PtPb
_chemical_formula_sum   'Cu2 Pt1 Pb1'
_cell_volume   67.18
_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  0.33  0.88  0.64  1.0
  Cu  Cu1  1  0.45  0.88  0.24  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.86  0.0  0.94  1.0

Cu Cu Pt Pb
Cu Cu Pt Pb 0 2 o + o 0 2 + + o 0 3 - + - 0 3 o + - 0 1 o o o 1 2 o + + 1 3 - + o 1 3 o + o 2 3 - o - 