data_CuGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.61
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2Pb
_chemical_formula_sum   'Cu1 Ge2 Pb1'
_cell_volume   83.78
_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  0.0  0.0  0.78  1.0
  Ge  Ge1  1  0.61  0.8  0.06  1.0
  Ge  Ge2  1  0.0  0.0  0.31  1.0
  Pb  Pb3  1  0.61  0.8  0.88  1.0

data_CuGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.61
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2Pb
_chemical_formula_sum   'Cu1 Ge2 Pb1'
_cell_volume   83.78
_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  0.0  0.0  0.78  1.0
  Ge  Ge1  1  0.0  0.0  0.31  1.0
  Ge  Ge2  1  0.61  0.8  0.06  1.0
  Pb  Pb3  1  0.61  0.8  0.88  1.0

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