data_SrGa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Br
_chemical_formula_sum   'Sr1 Ga2 Br1'
_cell_volume   114.46
_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  0.07  0.0  0.0  1.0
  Ga  Ga1  1  0.53  0.39  0.95  1.0
  Ga  Ga2  1  0.53  0.61  0.95  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrGa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   114.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Br
_chemical_formula_sum   'Sr1 Ga2 Br1'
_cell_volume   114.46
_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  0.07  0.0  1.0
  Ga  Ga1  1  0.95  0.53  0.39  1.0
  Ga  Ga2  1  0.95  0.53  0.61  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Ga Ga Br