data_BaYGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYGa2
_chemical_formula_sum   'Ba1 Y1 Ga2'
_cell_volume   110.08
_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  0.62  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.81  0.83  0.75  1.0
  Ga  Ga2  1  0.81  0.17  0.75  1.0

data_BaYGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   100.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYGa2
_chemical_formula_sum   'Ba1 Y1 Ga2'
_cell_volume   110.08
_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  0.62  0.0  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.75  0.81  0.17  1.0
  Ga  Ga3  1  0.75  0.81  0.83  1.0

Ba Y Ga Ga