data_Al2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.58
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   92.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeMo
_chemical_formula_sum   'Al2 Ge1 Mo1'
_cell_volume   62.95
_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
  Al  Al0  1  0.42  0.0  0.18  1.0
  Al  Al1  1  0.25  0.29  0.49  1.0
  Ge  Ge2  1  0.1  0.0  0.53  1.0
  Mo  Mo3  1  0.97  0.29  0.06  1.0

data_Al2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.58
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   92.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeMo
_chemical_formula_sum   'Al2 Ge1 Mo1'
_cell_volume   62.95
_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
  Al  Al0  1  0.25  0.29  0.49  1.0
  Al  Al1  1  0.42  0.0  0.18  1.0
  Ge  Ge2  1  0.1  0.0  0.53  1.0
  Mo  Mo3  1  0.97  0.29  0.06  1.0

Al Al Ge Mo
Al Al Ge Mo 0 3 - o o 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 - o o 