data_[Al6Cr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pc]
_cell_length_a [5.2439]
_cell_length_b [4.8769]
_cell_length_c [7.1808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Al3CrO6]
_chemical_formula_sum '[Al6 Cr2 O12]'
_cell_volume [182.7343]
_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
[
  Al  Al0  2  0.2048  0.4976  0.6466  1.0
  Al  Al1  2  0.2936  0.0014  0.3531  1.0
  Al  Al2  2  0.8010  0.4986  0.8505  1.0
  Cr  Cr3  2  0.6998  0.0016  0.1493  1.0
  O  O4  2  0.0114  0.2008  0.7561  1.0
  O  O5  2  0.1530  0.3424  0.4032  1.0
  O  O6  2  0.3382  0.1540  0.0946  1.0
  O  O7  2  0.4999  0.3107  0.7543  1.0
  O  O8  2  0.6452  0.1655  0.3970  1.0
  O  O9  2  0.8531  0.3632  0.0952  1.0
]