data_[Pr4Cr4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6330]
_cell_length_b [7.8394]
_cell_length_c [5.5108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PrCrO3]
_chemical_formula_sum '[Pr4 Cr4 O12]'
_cell_volume [243.3522]
_cell_formula_units_Z [4]
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  0.0484  0.2500  0.9882  1.0
  Cr  Cr1  4  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.2092  0.5462  0.2083  1.0
  O  O3  4  0.0229  0.7500  0.5863  1.0
]