data_[Ba2Pr2Al2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  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 [5.8193]
_cell_length_b [5.8821]
_cell_length_c [7.2823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaPrAlO4]
_chemical_formula_sum '[Ba2 Pr2 Al2 O8]'
_cell_volume [237.0985]
_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  0.2971  0.2500  0.0746  1.0
  Pr  Pr1  2  0.2042  0.2500  0.5412  1.0
  Al  Al2  2  0.2483  0.7500  0.3213  1.0
  O  O3  4  0.0413  0.5183  0.2879  1.0
  O  O4  2  0.4385  0.7500  0.1717  1.0
  O  O5  2  0.4402  0.7500  0.5632  1.0
]