data_Cu4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Pb
_chemical_formula_sum   'Cu16 Pb4'
_cell_volume   317.32
_cell_formula_units_Z   4
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  0.59  0.41  0.41  1.0
  Cu  Cu1  1  0.41  0.59  0.41  1.0
  Cu  Cu2  1  0.41  0.41  0.59  1.0
  Cu  Cu3  1  0.88  0.88  0.88  1.0
  Cu  Cu4  1  0.05  0.0  0.0  1.0
  Cu  Cu5  1  0.54  0.0  0.0  1.0
  Cu  Cu6  1  0.0  0.54  0.0  1.0
  Cu  Cu7  1  0.0  0.05  0.0  1.0
  Cu  Cu8  1  0.0  0.0  0.54  1.0
  Cu  Cu9  1  0.0  0.0  0.05  1.0
  Cu  Cu10  1  0.15  0.3  0.0  1.0
  Cu  Cu11  1  0.15  0.0  0.3  1.0
  Cu  Cu12  1  0.3  0.15  0.0  1.0
  Cu  Cu13  1  0.0  0.15  0.3  1.0
  Cu  Cu14  1  0.0  0.3  0.15  1.0
  Cu  Cu15  1  0.3  0.0  0.15  1.0
  Pb  Pb16  1  0.14  0.86  0.86  1.0
  Pb  Pb17  1  0.86  0.14  0.86  1.0
  Pb  Pb18  1  0.86  0.86  0.14  1.0
  Pb  Pb19  1  0.44  0.44  0.44  1.0

data_Cu4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.15
_cell_length_b   12.15
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu4Pb
_chemical_formula_sum   'Cu48 Pb12'
_cell_volume   951.95
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  -0.0  0.15  0.15  1.0
  Cu  Cu1  9  0.03  0.51  0.51  1.0
  Cu  Cu2  9  0.03  0.02  0.02  1.0
  Cu  Cu3  9  0.11  0.06  0.47  1.0
  Cu  Cu4  3  0.0  0.0  0.88  1.0
  Pb  Pb5  9  0.19  0.1  0.95  1.0
  Pb  Pb6  3  0.0  0.0  0.44  1.0

Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Pb Pb Pb Pb