data_BaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   45.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2
_chemical_formula_sum   'Ba2 Ga4'
_cell_volume   165.05
_cell_formula_units_Z   2
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  0.12  0.61  0.3  1.0
  Ba  Ba1  1  0.12  0.39  0.89  1.0
  Ga  Ga2  1  0.7  0.08  0.3  1.0
  Ga  Ga3  1  0.55  0.92  0.89  1.0
  Ga  Ga4  1  0.55  0.08  0.3  1.0
  Ga  Ga5  1  0.7  0.92  0.89  1.0

data_BaGa2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.65
_cell_angle_alpha   112.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaGa2
_chemical_formula_sum   'Ba2 Ga4'
_cell_volume   165.05
_cell_formula_units_Z   2
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
  Ba  Ba0  2  0.3  0.39  0.89  1.0
  Ga  Ga1  2  0.3  0.92  0.85  1.0
  Ga  Ga2  2  0.3  0.92  1.0  1.0

Ba Ba Ga Ga Ga Ga