data_SrGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Ni
_chemical_formula_sum   'Sr1 Ga2 Ni1'
_cell_volume   79.87
_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  0.3  0.0  0.95  1.0
  Ga  Ga0  1  0.0  0.0  0.83  1.0
  Ga  Ga1  1  0.3  0.0  0.14  1.0
  Ni  Ni2  1  0.0  0.0  0.28  1.0

data_SrGa2Ni
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrGa2Ni
_chemical_formula_sum   'Sr1 Ga2 Ni1'
_cell_volume   79.93
_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  0.3  0.0  0.95  1.0
  Ga  Ga1  1  0.0  0.0  0.83  1.0
  Ga  Ga2  1  0.3  0.0  0.14  1.0
  Ni  Ni3  1  0.0  0.0  0.28  1.0

Sr Ga Ga Ni
Sr Ga Ga Ni 0 1 o o o 0 2 o o + 2 3 o o o 