data_[Cr12O16]
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/c]
_cell_length_a [8.3423]
_cell_length_b [8.1996]
_cell_length_c [6.1774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.2912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr3O4]
_chemical_formula_sum '[Cr12 O16]'
_cell_volume [312.5745]
_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
[
  Cr  Cr0  4  0.0000  0.5000  0.0000  1.0
  Cr  Cr1  4  0.2500  0.2500  0.0000  1.0
  Cr  Cr2  4  0.2500  0.2500  0.5000  1.0
  O  O3  8  0.0216  0.2572  0.5480  1.0
  O  O4  8  0.2127  0.4991  0.9465  1.0
]