data_[Ba6Cr4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9689]
_cell_length_b [5.8418]
_cell_length_c [9.9008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba3Cr2O8]
_chemical_formula_sum '[Ba6 Cr4 O16]'
_cell_volume [427.8694]
_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
[
  Ba  Ba0  2  0.1611  0.7500  0.5433  1
  Ba  Ba1  2  0.2509  0.2500  0.2515  1
  Ba  Ba2  2  0.3362  0.7500  0.9560  1
  Cr  Cr3  2  0.0642  0.2500  0.8427  1
  Cr  Cr4  2  0.4364  0.2500  0.6574  1
  O  O5  4  0.0382  0.0063  0.7369  1
  O  O6  4  0.4630  0.0108  0.7668  1
  O  O7  2  0.0990  0.7500  0.0839  1
  O  O8  2  0.2210  0.2500  0.5226  1
  O  O9  2  0.2799  0.2500  0.9753  1
  O  O10  2  0.4120  0.7500  0.4275  1
]