data_[Cr8O16]
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/m]
_cell_length_a [12.1282]
_cell_length_b [3.8600]
_cell_length_c [6.2383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrO2]
_chemical_formula_sum '[Cr8 O16]'
_cell_volume [279.9085]
_cell_formula_units_Z [8]
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  0.1039  0.0000  0.6919  1.0
  Cr  Cr1  4  0.2054  0.0000  0.2903  1.0
  O  O2  4  0.0636  0.0000  0.3759  1.0
  O  O3  4  0.1372  0.5000  0.6987  1.0
  O  O4  4  0.1395  0.0000  0.0020  1.0
  O  O5  4  0.2372  0.5000  0.3470  1.0
]