data_AlMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   13.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo3
_chemical_formula_sum   'Al6 Mo18'
_cell_volume   375.31
_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
  Al  Al0  1  0.0  0.0  0.46  1.0
  Al  Al1  1  0.0  0.0  0.39  1.0
  Al  Al2  1  0.8  0.61  0.68  1.0
  Al  Al3  1  0.8  0.61  0.11  1.0
  Al  Al4  1  0.0  0.23  0.75  1.0
  Al  Al5  1  0.0  0.23  0.18  1.0
  Mo  Mo6  1  0.8  0.04  0.46  1.0
  Mo  Mo7  1  0.16  0.4  0.46  1.0
  Mo  Mo8  1  0.43  0.4  0.46  1.0
  Mo  Mo9  1  0.0  0.81  0.39  1.0
  Mo  Mo10  1  0.63  0.44  0.39  1.0
  Mo  Mo11  1  0.37  0.44  0.39  1.0
  Mo  Mo12  1  0.8  0.23  0.78  1.0
  Mo  Mo13  1  0.4  0.81  0.78  1.0
  Mo  Mo14  1  0.19  0.81  0.78  1.0
  Mo  Mo15  1  0.8  0.23  0.15  1.0
  Mo  Mo16  1  0.4  0.81  0.15  1.0
  Mo  Mo17  1  0.19  0.81  0.15  1.0
  Mo  Mo18  1  0.0  0.62  0.08  1.0
  Mo  Mo19  1  0.4  0.03  0.08  1.0
  Mo  Mo20  1  0.6  0.03  0.08  1.0
  Mo  Mo21  1  0.0  0.62  0.71  1.0
  Mo  Mo22  1  0.4  0.03  0.71  1.0
  Mo  Mo23  1  0.6  0.03  0.71  1.0

data_AlMo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   13.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo3
_chemical_formula_sum   'Al6 Mo18'
_cell_volume   375.31
_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
  Al  Al0  1  0.0  0.0  0.39  1.0
  Al  Al1  1  0.0  0.0  0.46  1.0
  Al  Al2  1  0.0  0.23  0.18  1.0
  Al  Al3  1  0.0  0.23  0.75  1.0
  Al  Al4  1  0.8  0.61  0.11  1.0
  Al  Al5  1  0.8  0.61  0.68  1.0
  Mo  Mo6  1  0.0  0.62  0.08  1.0
  Mo  Mo7  1  0.0  0.62  0.71  1.0
  Mo  Mo8  1  0.0  0.81  0.39  1.0
  Mo  Mo9  1  0.16  0.4  0.46  1.0
  Mo  Mo10  1  0.19  0.81  0.15  1.0
  Mo  Mo11  1  0.19  0.81  0.78  1.0
  Mo  Mo12  1  0.37  0.44  0.39  1.0
  Mo  Mo13  1  0.4  0.03  0.08  1.0
  Mo  Mo14  1  0.4  0.03  0.71  1.0
  Mo  Mo15  1  0.4  0.81  0.15  1.0
  Mo  Mo16  1  0.4  0.81  0.78  1.0
  Mo  Mo17  1  0.43  0.4  0.46  1.0
  Mo  Mo18  1  0.6  0.03  0.08  1.0
  Mo  Mo19  1  0.6  0.03  0.71  1.0
  Mo  Mo20  1  0.63  0.44  0.39  1.0
  Mo  Mo21  1  0.8  0.04  0.46  1.0
  Mo  Mo22  1  0.8  0.23  0.15  1.0
  Mo  Mo23  1  0.8  0.23  0.78  1.0

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