data_ReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   4.52
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGe2
_chemical_formula_sum   'Re4 Ge8'
_cell_volume   185.3
_cell_formula_units_Z   4
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  Re8  1  0.77  0.13  0.11  1.0
  Re  Re9  1  0.79  0.39  0.1  1.0
  Re  Re10  1  0.32  0.13  0.92  1.0
  Re  Re11  1  0.34  0.39  0.91  1.0
  Ge  Ge0  1  0.19  0.13  0.37  1.0
  Ge  Ge1  1  0.48  0.39  0.37  1.0
  Ge  Ge2  1  0.63  0.13  0.64  1.0
  Ge  Ge3  1  0.92  0.39  0.65  1.0
  Ge  Ge4  1  0.32  0.13  0.7  1.0
  Ge  Ge5  1  0.35  0.39  0.7  1.0
  Ge  Ge6  1  0.77  0.13  0.32  1.0
  Ge  Ge7  1  0.79  0.39  0.31  1.0

data_ReGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.52
_cell_length_b   5.11
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ReGe2
_chemical_formula_sum   'Re4 Ge8'
_cell_volume   185.3
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.37  0.77  0.41  1.0
  Re  Re1  2  0.37  0.21  0.6  1.0
  Ge  Ge2  2  0.37  0.08  0.13  1.0
  Ge  Ge3  2  0.37  0.21  0.81  1.0
  Ge  Ge4  2  0.37  0.63  0.86  1.0
  Ge  Ge5  2  0.37  0.77  0.2  1.0

Re Re Re Re Ge Ge Ge Ge Ge Ge Ge Ge
Re Re Re Re Ge Ge Ge Ge Ge Ge Ge Ge 0 1 o o o 2 3 o o o 4 10 - o o 4 5 o o o 5 10 o o o 5 11 o o o 6 9 o o o 6 8 o o o 6 7 o o o 7 9 + o o 8 9 o o o 10 11 o o o 