data_ReGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   4.55
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   102.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGe2Pb
_chemical_formula_sum   'Re1 Ge2 Pb1'
_cell_volume   81.9
_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  0.92  0.27  0.09  1.0
  Ge  Ge1  1  0.54  0.27  0.92  1.0
  Pb  Pb2  1  0.23  0.0  0.5  1.0

data_ReGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.55
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   102.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGe2Pb
_chemical_formula_sum   'Re1 Ge2 Pb1'
_cell_volume   81.9
_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  0.54  0.27  0.92  1.0
  Ge  Ge2  1  0.92  0.27  0.09  1.0
  Pb  Pb3  1  0.23  0.0  0.5  1.0

Re Ge Ge Pb