data_Cu3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   5.56
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Pb
_chemical_formula_sum   'Cu6 Pb2'
_cell_volume   129.56
_cell_formula_units_Z   2
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  0.3  1.0
  Cu  Cu1  1  0.13  0.78  0.16  1.0
  Cu  Cu2  1  0.13  0.33  0.75  1.0
  Cu  Cu3  1  0.13  0.23  0.75  1.0
  Cu  Cu4  1  0.0  0.1  0.72  1.0
  Cu  Cu5  1  0.0  0.45  0.72  1.0
  Pb  Pb6  1  0.13  0.0  0.41  1.0
  Pb  Pb7  1  0.0  0.78  0.05  1.0

data_Cu3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.46
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Pb
_chemical_formula_sum   'Cu6 Pb2'
_cell_volume   129.56
_cell_formula_units_Z   2
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  0.28  0.9  1.0
  Cu  Cu1  1  -0.0  0.28  0.55  1.0
  Cu  Cu2  1  0.0  0.7  0.0  1.0
  Cu  Cu3  1  0.87  0.25  0.67  1.0
  Cu  Cu4  1  0.87  0.25  0.77  1.0
  Cu  Cu5  1  0.87  0.84  0.22  1.0
  Pb  Pb6  1  -0.0  0.95  0.22  1.0
  Pb  Pb7  1  0.87  0.59  0.0  1.0

Cu Cu Cu Cu Cu Cu Pb Pb