data_BaYGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYGa2
_chemical_formula_sum   'Ba1 Y1 Ga2'
_cell_volume   110.18
_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  0.86  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.64  0.0  0.19  1.0
  Ga  Ga2  1  0.64  0.0  0.54  1.0

data_BaYGa2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaYGa2
_chemical_formula_sum   'Ba1 Y1 Ga2'
_cell_volume   110.2
_cell_formula_units_Z   1
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  1  0.0  0.0  0.86  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.64  0.0  0.19  1.0
  Ga  Ga3  1  0.64  0.0  0.54  1.0

Ba Y Ga Ga