data_[Pr1Al1Cr2O8]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4216]
_cell_length_b [5.4216]
_cell_length_c [6.5059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PrAlCr2O8]
_chemical_formula_sum '[Pr1 Al1 Cr2 O8]'
_cell_volume [165.6144]
_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  1  0.0000  0.0000  0.5000  1
  Al  Al1  1  0.0000  0.0000  0.0000  1
  Cr  Cr2  2  0.3333  0.6667  0.7417  1
  O  O3  6  0.1551  0.3103  0.8140  1
  O  O4  2  0.3333  0.6667  0.4833  1
]