data_[Li1Pr3Al2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-3m1]
_cell_length_a [5.4640]
_cell_length_b [5.4640]
_cell_length_c [6.8795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiPr3Al2O8]
_chemical_formula_sum '[Li1 Pr3 Al2 O8]'
_cell_volume [177.8729]
_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
[
  Li  Li0  1  0.0000  0.0000  0.5000  1
  Pr  Pr1  2  0.3333  0.6667  0.6304  1
  Pr  Pr2  1  0.0000  0.0000  0.0000  1
  Al  Al3  2  0.3333  0.6667  0.1980  1
  O  O4  6  0.1666  0.3331  0.3083  1
  O  O5  2  0.3333  0.6667  0.9492  1
]