data_Co2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.54
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   101.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2GePb
_chemical_formula_sum   'Co2 Ge1 Pb1'
_cell_volume   65.25
_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
  Co  Co0  1  0.64  0.77  0.03  1.0
  Co  Co1  1  0.04  0.77  0.14  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.84  0.0  0.09  1.0

data_Co2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.54
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   101.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2GePb
_chemical_formula_sum   'Co2 Ge1 Pb1'
_cell_volume   65.25
_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
  Co  Co0  1  0.04  0.77  0.14  1.0
  Co  Co1  1  0.64  0.77  0.03  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.84  0.0  0.09  1.0

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