data_[Ba6Os3O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [9.5339]
_cell_length_b [9.5339]
_cell_length_c [5.6761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Ba6Os3O14]
_chemical_formula_sum '[Ba6 Os3 O14]'
_cell_volume [446.8163]
_cell_formula_units_Z [1]
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  3  0.3009  0.0773  0.7375  1
  Ba  Ba1  3  0.4418  0.4404  0.2082  1
  Os  Os2  1  0.0000  0.0000  0.1853  1
  Os  Os3  1  0.3333  0.6667  0.6359  1
  Os  Os4  1  0.6667  0.3333  0.5655  1
  O  O5  3  0.0484  0.8545  0.0381  1
  O  O6  3  0.2023  0.4677  0.4992  1
  O  O7  3  0.4679  0.2009  0.3594  1
  O  O8  3  0.5297  0.3957  0.7606  1
  O  O9  1  0.0000  0.0000  0.5066  1
  O  O10  1  0.3333  0.6667  0.9547  1
]