data_[Pr4Er2Al2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6068]
_cell_length_b [5.7696]
_cell_length_c [9.7608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2ErAlO6]
_chemical_formula_sum '[Pr4 Er2 Al2 O12]'
_cell_volume [260.6710]
_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
[
  Pr  Pr0  4  0.2655  0.5491  0.7503  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1684  0.5331  0.2676  1.0
  O  O4  4  0.2750  0.1909  0.0509  1.0
  O  O5  4  0.3679  0.7211  0.0557  1.0
]