data_GeMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   13.84
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMo3
_chemical_formula_sum   'Ge6 Mo18'
_cell_volume   374.61
_cell_formula_units_Z   6
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
  Ge  Ge0  1  0.72  0.92  0.14  1.0
  Ge  Ge1  1  0.72  0.33  0.25  1.0
  Ge  Ge2  1  0.72  0.5  0.25  1.0
  Ge  Ge3  1  0.0  0.0  0.83  1.0
  Ge  Ge4  1  0.0  0.25  0.72  1.0
  Ge  Ge5  1  0.0  0.58  0.72  1.0
  Mo  Mo6  1  0.38  0.27  0.79  1.0
  Mo  Mo7  1  0.38  0.57  0.79  1.0
  Mo  Mo8  1  0.39  0.92  0.6  1.0
  Mo  Mo9  1  0.33  0.0  0.37  1.0
  Mo  Mo10  1  0.35  0.18  0.18  1.0
  Mo  Mo11  1  0.35  0.65  0.18  1.0
  Mo  Mo12  1  0.72  0.0  0.78  1.0
  Mo  Mo13  1  0.72  0.26  0.65  1.0
  Mo  Mo14  1  0.72  0.58  0.65  1.0
  Mo  Mo15  1  0.07  0.27  0.79  1.0
  Mo  Mo16  1  0.07  0.57  0.79  1.0
  Mo  Mo17  1  0.06  0.92  0.6  1.0
  Mo  Mo18  1  0.12  0.0  0.37  1.0
  Mo  Mo19  1  0.1  0.18  0.18  1.0
  Mo  Mo20  1  0.1  0.65  0.18  1.0
  Mo  Mo21  1  0.0  0.92  0.19  1.0
  Mo  Mo22  1  0.0  0.34  0.31  1.0
  Mo  Mo23  1  0.0  0.5  0.31  1.0

data_GeMo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   5.45
_cell_length_c   13.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMo3
_chemical_formula_sum   'Ge6 Mo18'
_cell_volume   374.61
_cell_formula_units_Z   6
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
  Ge  Ge0  1  0.14  0.72  0.92  1.0
  Ge  Ge1  1  0.25  0.72  0.33  1.0
  Ge  Ge2  1  0.25  0.72  0.5  1.0
  Ge  Ge3  1  0.72  0.0  0.58  1.0
  Ge  Ge4  1  0.72  0.0  0.25  1.0
  Ge  Ge5  1  0.83  0.0  0.0  1.0
  Mo  Mo6  1  0.18  0.1  0.18  1.0
  Mo  Mo7  1  0.18  0.1  0.65  1.0
  Mo  Mo8  1  0.18  0.35  0.18  1.0
  Mo  Mo9  1  0.18  0.35  0.65  1.0
  Mo  Mo10  1  0.19  0.0  0.92  1.0
  Mo  Mo11  1  0.31  0.0  0.34  1.0
  Mo  Mo12  1  0.31  0.0  0.5  1.0
  Mo  Mo13  1  0.37  0.12  0.0  1.0
  Mo  Mo14  1  0.37  0.33  0.0  1.0
  Mo  Mo15  1  0.6  0.06  0.92  1.0
  Mo  Mo16  1  0.6  0.39  0.92  1.0
  Mo  Mo17  1  0.65  0.72  0.26  1.0
  Mo  Mo18  1  0.65  0.72  0.58  1.0
  Mo  Mo19  1  0.78  0.72  0.0  1.0
  Mo  Mo20  1  0.79  0.07  0.27  1.0
  Mo  Mo21  1  0.79  0.07  0.57  1.0
  Mo  Mo22  1  0.79  0.38  0.27  1.0
  Mo  Mo23  1  0.79  0.38  0.57  1.0

Ge Ge Ge Ge Ge Ge Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo