data_[Pr2Al1Bi1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.4327]
_cell_length_b [5.4327]
_cell_length_c [5.2502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Pr2AlBiO6]
_chemical_formula_sum '[Pr2 Al1 Bi1 O6]'
_cell_volume [154.9560]
_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
[
  Pr  Pr0  2  0.0000  0.5000  0.9994  1
  Al  Al1  1  0.0000  0.0000  0.5988  1
  Bi  Bi2  1  0.5000  0.5000  0.5559  1
  O  O3  4  0.2294  0.2294  0.7311  1
  O  O4  1  0.0000  0.0000  0.2554  1
  O  O5  1  0.5000  0.5000  0.1136  1
]