data_ReGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGe
_chemical_formula_sum   'Re2 Ge2'
_cell_volume   67.29
_cell_formula_units_Z   2
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  Re2  1  0.42  0.82  0.78  1.0
  Re  Re3  1  0.0  0.64  0.86  1.0
  Ge  Ge0  1  0.42  0.82  0.17  1.0
  Ge  Ge1  1  0.0  0.64  0.48  1.0

data_ReGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ReGe
_chemical_formula_sum   'Re2 Ge2'
_cell_volume   67.29
_cell_formula_units_Z   2
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  0.21  0.59  0.46  1.0
  Ge  Ge1  2  0.21  0.59  0.85  1.0

Re Re Ge Ge
Re Re Ge Ge 0 1 o o o 0 3 o o o 1 2 o o + 2 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 3 3 + + o 3 3 o + o 3 3 + o o 