data_CrGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   138.1
_cell_angle_beta   122.86
_cell_angle_gamma   73.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGePb2
_chemical_formula_sum   'Cr1 Ge1 Pb2'
_cell_volume   90.78
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.4  1.0
  Pb  Pb2  1  0.96  0.0  0.1  1.0
  Pb  Pb3  1  0.0  0.63  0.3  1.0

data_CrGePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   5.25
_cell_length_c   5.49
_cell_angle_alpha   118.57
_cell_angle_beta   110.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGePb2
_chemical_formula_sum   'Cr1 Ge1 Pb2'
_cell_volume   90.78
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.4  0.4  1.0
  Pb  Pb2  1  0.0  0.1  0.14  1.0
  Pb  Pb3  1  0.37  0.68  0.68  1.0

Cr Ge Pb Pb
Cr Ge Pb Pb 0 2 - o o 1 2 - o o 1 3 o - o 