data_[Ba4H24F32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-62c]
_cell_length_a [7.5670]
_cell_length_b [7.5670]
_cell_length_c [11.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [190]
_chemical_formula_structural [BaH6F8]
_chemical_formula_sum '[Ba4 H24 F32]'
_cell_volume [582.8438]
_cell_formula_units_Z [4]
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  0.3333  0.6667  0.5604  1
  H  H1  12  0.0984  0.3595  0.1671  1
  H  H2  6  0.0000  0.8292  0.0000  1
  H  H3  6  0.0359  0.7360  0.7500  1
  F  F4  12  0.0712  0.4429  0.1100  1
  F  F5  6  0.0000  0.6957  0.0000  1
  F  F6  6  0.1263  0.2560  0.2500  1
  F  F7  6  0.1703  0.7339  0.7500  1
  F  F8  2  0.0000  0.0000  0.0000  1
]