data_BaHfGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.69
_cell_angle_alpha   106.99
_cell_angle_beta   106.99
_cell_angle_gamma   50.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfGa2
_chemical_formula_sum   'Ba1 Hf1 Ga2'
_cell_volume   114.32
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Hf  Hf3  1  0.31  0.0  0.17  1.0
  Ga  Ga1  1  0.64  0.0  0.98  1.0
  Ga  Ga2  1  0.98  0.0  0.35  1.0

data_BaHfGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.85
_cell_length_c   6.69
_cell_angle_alpha   106.99
_cell_angle_beta   90.0
_cell_angle_gamma   115.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfGa2
_chemical_formula_sum   'Ba1 Hf1 Ga2'
_cell_volume   114.32
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.69  0.83  1.0
  Ga  Ga2  1  0.0  0.02  0.65  1.0
  Ga  Ga3  1  0.0  0.36  0.02  1.0

Ba Hf Ga Ga