data_SrMgGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgGa2
_chemical_formula_sum   'Sr1 Mg1 Ga2'
_cell_volume   94.18
_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  0.7  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.5  0.0  0.91  1.0
  Ga  Ga1  1  0.5  0.0  0.49  1.0

data_SrMgGa2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   SrMgGa2
_chemical_formula_sum   'Sr1 Mg1 Ga2'
_cell_volume   94.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.7  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.5  0.0  0.49  1.0
  Ga  Ga3  1  0.5  0.0  0.91  1.0

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