data_BaAlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.74
_cell_angle_alpha   108.79
_cell_angle_beta   108.79
_cell_angle_gamma   57.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlGa2
_chemical_formula_sum   'Ba1 Al1 Ga2'
_cell_volume   108.02
_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  Ba1  1  0.11  0.0  0.67  1.0
  Al  Al0  1  0.71  0.0  0.32  1.0
  Ga  Ga2  1  0.02  0.0  0.66  1.0
  Ga  Ga3  1  0.3  0.0  0.75  1.0

data_BaAlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.51
_cell_length_c   6.74
_cell_angle_alpha   108.79
_cell_angle_beta   90.0
_cell_angle_gamma   118.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlGa2
_chemical_formula_sum   'Ba1 Al1 Ga2'
_cell_volume   108.02
_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  0.89  0.33  1.0
  Al  Al1  1  0.0  0.29  0.68  1.0
  Ga  Ga2  1  0.0  0.7  0.25  1.0
  Ga  Ga3  1  0.0  0.98  0.34  1.0

Ba Al Ga Ga