data_GeMo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMo5
_chemical_formula_sum   'Ge1 Mo5'
_cell_volume   94.06
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.61  0.61  0.65  1.0
  Mo  Mo2  1  0.61  0.61  0.48  1.0
  Mo  Mo3  1  0.0  0.0  0.12  1.0
  Mo  Mo4  1  0.0  0.0  0.01  1.0
  Mo  Mo5  1  0.61  0.61  0.56  1.0

data_GeMo5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeMo5
_chemical_formula_sum   'Ge2 Mo10'
_cell_volume   188.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.01  1.0
  Mo  Mo2  2  0.0  0.0  0.12  1.0
  Mo  Mo3  2  0.11  0.5  0.48  1.0
  Mo  Mo4  2  0.11  0.5  0.56  1.0
  Mo  Mo5  2  0.11  0.5  0.65  1.0

Ge Mo Mo Mo Mo Mo
Ge Mo Mo Mo Mo Mo 0 4 o o o 0 3 o o o 1 5 o o o 2 5 o o o 3 4 o o o 