data_Al5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Mo
_chemical_formula_sum   'Al10 Mo2'
_cell_volume   185.55
_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
  Al  Al0  1  0.0  0.0  0.66  1.0
  Al  Al1  1  0.0  0.0  0.22  1.0
  Al  Al2  1  0.46  0.42  0.66  1.0
  Al  Al3  1  0.0  0.84  0.22  1.0
  Al  Al4  1  0.66  0.0  0.0  1.0
  Al  Al5  1  0.17  0.44  0.0  1.0
  Al  Al6  1  0.63  0.82  0.0  1.0
  Al  Al7  1  0.25  0.0  0.44  1.0
  Al  Al8  1  0.37  0.82  0.44  1.0
  Al  Al9  1  0.83  0.44  0.44  1.0
  Mo  Mo10  1  0.46  0.42  0.22  1.0
  Mo  Mo11  1  0.0  0.84  0.66  1.0

data_Al5Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Mo
_chemical_formula_sum   'Al10 Mo2'
_cell_volume   185.55
_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
  Al  Al0  1  0.0  0.0  0.22  1.0
  Al  Al1  1  0.0  0.0  0.66  1.0
  Al  Al2  1  0.0  0.84  0.22  1.0
  Al  Al3  1  0.17  0.44  0.0  1.0
  Al  Al4  1  0.25  0.0  0.44  1.0
  Al  Al5  1  0.37  0.82  0.44  1.0
  Al  Al6  1  0.46  0.42  0.66  1.0
  Al  Al7  1  0.63  0.82  0.0  1.0
  Al  Al8  1  0.66  0.0  0.0  1.0
  Al  Al9  1  0.83  0.44  0.44  1.0
  Mo  Mo10  1  0.0  0.84  0.66  1.0
  Mo  Mo11  1  0.46  0.42  0.22  1.0

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