data_[Cr6O16]
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 [9.0008]
_cell_length_b [5.4475]
_cell_length_c [6.8815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr3O8]
_chemical_formula_sum '[Cr6 O16]'
_cell_volume [337.2160]
_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
[
  Cr  Cr0  4  0.1399  0.5000  0.7719  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.0332  0.2452  0.8098  1.0
  O  O3  4  0.1899  0.5000  0.5523  1.0
  O  O4  4  0.2137  0.0000  0.0734  1.0
]