data_AlMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   8.66
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo3
_chemical_formula_sum   'Al4 Mo12'
_cell_volume   252.87
_cell_formula_units_Z   4
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  0.18  0.5  0.3  1.0
  Al  Al1  1  0.16  0.17  0.67  1.0
  Al  Al2  1  0.4  0.5  0.58  1.0
  Al  Al3  1  0.38  0.17  0.95  1.0
  Mo  Mo4  1  0.07  0.5  0.68  1.0
  Mo  Mo5  1  0.71  0.17  0.3  1.0
  Mo  Mo6  1  0.85  0.5  0.95  1.0
  Mo  Mo7  1  0.49  0.17  0.57  1.0
  Mo  Mo8  1  0.3  0.56  0.22  1.0
  Mo  Mo9  1  0.48  0.1  0.6  1.0
  Mo  Mo10  1  0.08  0.43  0.65  1.0
  Mo  Mo11  1  0.26  0.23  0.03  1.0
  Mo  Mo12  1  0.26  0.1  0.03  1.0
  Mo  Mo13  1  0.08  0.56  0.65  1.0
  Mo  Mo14  1  0.48  0.23  0.6  1.0
  Mo  Mo15  1  0.3  0.43  0.22  1.0

data_AlMo3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.25
_cell_length_b   5.56
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlMo3
_chemical_formula_sum   'Al4 Mo12'
_cell_volume   252.87
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.17  0.9  0.17  1.0
  Al  Al1  2  0.45  0.12  0.17  1.0
  Mo  Mo2  2  0.1  0.02  0.23  1.0
  Mo  Mo3  2  0.1  0.02  0.1  1.0
  Mo  Mo4  2  0.18  0.43  0.83  1.0
  Mo  Mo5  2  0.45  0.21  0.83  1.0
  Mo  Mo6  2  0.47  0.2  0.77  1.0
  Mo  Mo7  2  0.47  0.2  0.9  1.0

Al Al Al Al Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo