data_[Cr6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.7692]
_cell_length_b [5.4002]
_cell_length_c [5.8919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CrO2]
_chemical_formula_sum '[Cr6 O12]'
_cell_volume [279.0098]
_cell_formula_units_Z [6]
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
[
  Cr  Cr0  4  0.2346  0.7692  0.6620  1
  Cr  Cr1  2  0.0000  0.4776  0.0000  1
  O  O2  4  0.0498  0.6468  0.7528  1
  O  O3  4  0.1586  0.2781  0.0800  1
  O  O4  4  0.1842  0.0672  0.5447  1
]