data_[Ba6Re3O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [9.4903]
_cell_length_b [9.4903]
_cell_length_c [5.7033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Ba6Re3O14]
_chemical_formula_sum '[Ba6 Re3 O14]'
_cell_volume [444.8505]
_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  0.0685  0.7763  0.7344  1
  Ba  Ba1  3  0.4446  0.0089  0.2086  1
  Re  Re2  1  0.0000  0.0000  0.1834  1
  Re  Re3  1  0.3333  0.6667  0.5666  1
  Re  Re4  1  0.6667  0.3333  0.6367  1
  O  O5  3  0.1394  0.5335  0.7587  1
  O  O6  3  0.1951  0.0456  0.0369  1
  O  O7  3  0.2048  0.7318  0.3646  1
  O  O8  3  0.4648  0.2659  0.4983  1
  O  O9  1  0.0000  0.0000  0.5075  1
  O  O10  1  0.6667  0.3333  0.9587  1
]