data_[Cr6O6]
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 [P-6]
_cell_length_a [17.3541]
_cell_length_b [17.3541]
_cell_length_c [4.0299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [CrO]
_chemical_formula_sum '[Cr6 O6]'
_cell_volume [1051.0775]
_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  3  0.2061  0.5956  0.5000  1
  Cr  Cr1  3  0.2438  0.7326  0.0000  1
  O  O2  3  0.1968  0.5987  0.0000  1
  O  O3  3  0.2530  0.7399  0.5000  1
]