data_Re2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   136.23
_cell_angle_beta   136.23
_cell_angle_gamma   63.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2GeMo
_chemical_formula_sum   'Re2 Ge1 Mo1'
_cell_volume   60.51
_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  Re2  1  0.0  0.0  0.28  1.0
  Re  Re3  1  0.0  0.88  0.14  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.88  0.0  0.14  1.0

data_Re2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   5.04
_cell_angle_alpha   111.88
_cell_angle_beta   111.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2GeMo
_chemical_formula_sum   'Re2 Ge1 Mo1'
_cell_volume   60.51
_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  0.72  0.0  0.72  1.0
  Re  Re1  1  0.74  0.88  0.74  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.86  0.0  0.74  1.0

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