data_[Ba12O10F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8707]
_cell_length_b [11.9137]
_cell_length_c [6.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6O5F]
_chemical_formula_sum '[Ba12 O10 F2]'
_cell_volume [529.7881]
_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  8  0.2427  0.3273  0.7466  1
  Ba  Ba1  4  0.2407  0.5000  0.2597  1
  O  O2  4  0.0000  0.1691  0.5000  1
  O  O3  4  0.0000  0.3339  0.0000  1
  O  O4  2  0.0000  0.5000  0.5000  1
  F  F5  2  0.0000  0.0000  0.0000  1
]