data_[Ba6F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9174]
_cell_length_b [11.8193]
_cell_length_c [4.4299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba3F8]
_chemical_formula_sum '[Ba6 F16]'
_cell_volume [413.0642]
_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  4  0.4895  0.1826  0.4949  1.0
  Ba  Ba1  2  0.4569  0.5000  0.9989  1.0
  F  F2  4  0.0578  0.2186  0.0081  1.0
  F  F3  4  0.1753  0.0841  0.5301  1.0
  F  F4  4  0.3113  0.3726  0.4814  1.0
  F  F5  2  0.1025  0.5000  0.8567  1.0
  F  F6  2  0.4067  0.0000  0.1150  1.0
]