data_SrGa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.51
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Mo
_chemical_formula_sum   'Sr1 Ga2 Mo1'
_cell_volume   81.5
_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  0.0  1.0
  Ga  Ga0  1  0.66  0.76  0.16  1.0
  Ga  Ga1  1  0.63  0.76  0.7  1.0
  Mo  Mo2  1  0.96  0.0  0.43  1.0

data_SrGa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.51
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Mo
_chemical_formula_sum   'Sr1 Ga2 Mo1'
_cell_volume   81.5
_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  Sr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.63  0.76  0.7  1.0
  Ga  Ga2  1  0.66  0.76  0.16  1.0
  Mo  Mo3  1  0.96  0.0  0.43  1.0

Sr Ga Ga Mo
Sr Ga Ga Mo 0 1 - - o 0 2 - - - 1 3 o + o 2 3 o + o 