data_Ge3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   5.36
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Mo
_chemical_formula_sum   'Ge6 Mo2'
_cell_volume   133.64
_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
  Ge  Ge0  1  0.0  0.0  0.08  1.0
  Ge  Ge1  1  0.33  0.68  0.26  1.0
  Ge  Ge2  1  0.33  0.34  0.86  1.0
  Ge  Ge3  1  0.33  0.03  0.86  1.0
  Ge  Ge4  1  0.0  0.02  0.49  1.0
  Ge  Ge5  1  0.0  0.35  0.49  1.0
  Mo  Mo6  1  0.33  0.0  0.85  1.0
  Mo  Mo7  1  0.0  0.68  0.5  1.0

data_Ge3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   5.35
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Mo
_chemical_formula_sum   'Ge6 Mo2'
_cell_volume   133.64
_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
  Ge  Ge0  1  0.0  0.51  0.65  1.0
  Ge  Ge1  1  0.0  0.51  0.98  1.0
  Ge  Ge2  1  0.0  0.92  0.0  1.0
  Ge  Ge3  1  0.67  0.14  0.66  1.0
  Ge  Ge4  1  0.67  0.14  0.97  1.0
  Ge  Ge5  1  0.67  0.74  0.32  1.0
  Mo  Mo6  1  0.0  0.5  0.32  1.0
  Mo  Mo7  1  0.67  0.15  0.0  1.0

Ge Ge Ge Ge Ge Ge Mo Mo
Ge Ge Ge Ge Ge Ge Mo Mo 0 6 o o - 0 3 o o - 0 4 o o o 1 7 o o o 2 6 o o o 2 3 o o o 3 6 o o o 4 7 o - o 4 5 o o o 5 7 o o o 