data_Sr2HfGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   129.92
_cell_angle_beta   129.92
_cell_angle_gamma   73.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfGa
_chemical_formula_sum   'Sr2 Hf1 Ga1'
_cell_volume   118.34
_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  Sr2  1  0.0  0.0  0.73  1.0
  Sr  Sr3  1  0.0  0.5  0.37  1.0
  Hf  Hf1  1  0.5  0.0  0.37  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Sr2HfGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.91
_cell_angle_alpha   115.04
_cell_angle_beta   115.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfGa
_chemical_formula_sum   'Sr2 Hf1 Ga1'
_cell_volume   118.34
_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  0.13  0.5  0.13  1.0
  Sr  Sr1  1  0.27  0.0  0.27  1.0
  Hf  Hf2  1  0.63  0.0  0.13  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

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