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 [Cm]
_cell_length_a [10.1305]
_cell_length_b [5.8472]
_cell_length_c [7.9739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba3Cr2O8]
_chemical_formula_sum '[Ba6 Cr4 O16]'
_cell_volume [427.7979]
_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  0.2067  0.0000  0.6190  1.0
  Ba  Ba1  2  0.2940  0.5000  0.3810  1.0
  Ba  Ba2  2  0.4972  0.5000  0.0000  1.0
  Cr  Cr3  2  0.0924  0.5000  0.7788  1.0
  Cr  Cr4  2  0.4065  0.0000  0.2212  1.0
  O  O5  4  0.0131  0.2568  0.3006  1.0
  O  O6  4  0.4829  0.2390  0.6958  1.0
  O  O7  2  0.1767  0.5000  0.0153  1.0
  O  O8  2  0.2279  0.5000  0.6994  1.0
  O  O9  2  0.2749  0.0000  0.3059  1.0
  O  O10  2  0.3332  0.0000  0.9847  1.0
]