data_Ge2Ru2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   147.19
_cell_angle_beta   147.19
_cell_angle_gamma   47.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Ru2Pb
_chemical_formula_sum   'Ge2 Ru2 Pb1'
_cell_volume   88.33
_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
  Ge  Ge0  1  0.0  0.89  0.08  1.0
  Ge  Ge1  1  0.89  0.0  0.08  1.0
  Ru  Ru3  1  0.0  0.0  0.58  1.0
  Ru  Ru4  1  0.0  0.0  0.72  1.0
  Pb  Pb2  1  0.0  0.0  0.0  1.0

data_Ge2Ru2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   113.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge2Ru2Pb
_chemical_formula_sum   'Ge4 Ru4 Pb2'
_cell_volume   176.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ge  Ge0  4  0.45  0.45  0.82  1.0
  Ru  Ru1  2  0.0  0.0  0.28  1.0
  Ru  Ru2  2  0.0  0.0  0.42  1.0
  Pb  Pb3  2  0.0  0.0  0.0  1.0

Ge Ge Ru Ru Pb
Ge Ge Ru Ru Pb 0 1 - + o 0 4 o + o 1 4 + o o 2 3 o o o 