data_SrAlMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35
_cell_length_b   10.35
_cell_length_c   10.35
_cell_angle_alpha   16.27
_cell_angle_beta   16.27
_cell_angle_gamma   16.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlMo2
_chemical_formula_sum   'Sr1 Al1 Mo2'
_cell_volume   75.97
_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  0.32  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.01  1.0
  Mo  Mo2  1  0.0  0.0  0.64  1.0

data_SrAlMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   2.93
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrAlMo2
_chemical_formula_sum   'Sr2 Al2 Mo4'
_cell_volume   151.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.68  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.36  1.0
  Mo  Mo3  2  0.0  0.0  0.99  1.0

Sr Al Mo Mo