data_ReGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   146.85
_cell_angle_beta   121.06
_cell_angle_gamma   69.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGe2Pb
_chemical_formula_sum   'Re1 Ge2 Pb1'
_cell_volume   81.6
_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
  Re  Re3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.76  0.61  1.0
  Ge  Ge1  1  0.6  0.0  0.01  1.0
  Pb  Pb2  1  0.0  0.0  0.62  1.0

data_ReGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.52
_cell_length_c   5.61
_cell_angle_alpha   119.47
_cell_angle_beta   106.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGe2Pb
_chemical_formula_sum   'Re1 Ge2 Pb1'
_cell_volume   81.6
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.39  0.15  0.15  1.0
  Ge  Ge2  1  0.59  0.99  0.59  1.0
  Pb  Pb3  1  0.38  0.38  0.38  1.0

Re Ge Ge Pb