data_Cd2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GePb
_chemical_formula_sum   'Cd2 Ge1 Pb1'
_cell_volume   101.77
_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
  Cd  Cd0  1  0.74  0.0  0.09  1.0
  Cd  Cd1  1  0.74  0.0  0.39  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.24  1.0

data_Cd2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GePb
_chemical_formula_sum   'Cd2 Ge1 Pb1'
_cell_volume   101.77
_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
  Cd  Cd0  1  0.74  0.0  0.09  1.0
  Cd  Cd1  1  0.74  0.0  0.39  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.24  1.0

Cd Cd Ge Pb
Cd Cd Ge Pb 0 2 + o o 0 3 + o o 1 3 + o o 