data_BaY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   151.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY
_chemical_formula_sum   'Ba2 Y2'
_cell_volume   175.23
_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  0.93  0.11  0.56  1.0
  Ba  Ba1  1  0.93  0.89  0.52  1.0
  Y  Y2  1  0.93  0.19  0.56  1.0
  Y  Y3  1  0.93  0.81  0.52  1.0

data_BaY
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.86
_cell_length_b   6.08
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   104.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaY
_chemical_formula_sum   'Ba2 Y2'
_cell_volume   175.23
_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  0.11  0.98  0.11  1.0
  Y  Y1  2  0.19  0.98  0.19  1.0

Ba Ba Y Y