data_SrAl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.78
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Mo
_chemical_formula_sum   'Sr1 Al2 Mo1'
_cell_volume   86.24
_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
  Sr  Sr3  1  0.0  0.0  0.66  1.0
  Al  Al0  1  0.49  0.89  0.54  1.0
  Al  Al1  1  0.0  0.0  0.07  1.0
  Mo  Mo2  1  0.49  0.89  0.21  1.0

data_SrAl2Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.78
_cell_length_b   2.98
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrAl2Mo
_chemical_formula_sum   'Sr1 Al2 Mo1'
_cell_volume   86.24
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.0  0.0  0.66  1.0
  Al  Al1  1  0.0  0.0  0.07  1.0
  Al  Al2  1  0.89  0.5  0.54  1.0
  Mo  Mo3  1  0.89  0.5  0.21  1.0

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