data_GeRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   150.79
_cell_angle_beta   145.47
_cell_angle_gamma   45.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRu2Pb
_chemical_formula_sum   'Ge1 Ru2 Pb1'
_cell_volume   71.08
_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  0.0  0.28  1.0
  Ru  Ru2  1  0.0  0.0  0.4  1.0
  Ru  Ru3  1  0.0  0.89  0.31  1.0
  Pb  Pb1  1  0.6  0.0  0.46  1.0

data_GeRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.78
_cell_length_c   6.36
_cell_angle_alpha   107.26
_cell_angle_beta   104.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRu2Pb
_chemical_formula_sum   'Ge1 Ru2 Pb1'
_cell_volume   71.08
_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  0.72  0.72  0.72  1.0
  Ru  Ru1  1  0.6  0.6  0.6  1.0
  Ru  Ru2  1  0.69  0.58  0.58  1.0
  Pb  Pb3  1  0.14  0.54  0.14  1.0

Ge Ru Ru Pb