data_[Ba2Dy2Al2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6694]
_cell_length_b [5.8010]
_cell_length_c [7.2124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaDyAlO4]
_chemical_formula_sum '[Ba2 Dy2 Al2 O8]'
_cell_volume [225.3597]
_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  2  0.2922  0.2500  0.0705  1.0
  Dy  Dy1  2  0.1975  0.2500  0.5376  1.0
  Al  Al2  2  0.2557  0.7500  0.3323  1.0
  O  O3  4  0.0379  0.5184  0.3028  1.0
  O  O4  2  0.4458  0.7500  0.1780  1.0
  O  O5  2  0.4665  0.7500  0.5692  1.0
]