data_[K4Ba4H8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/c]
_cell_length_a [9.3550]
_cell_length_b [10.5040]
_cell_length_c [7.3959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBaH2F6]
_chemical_formula_sum '[K4 Ba4 H8 F24]'
_cell_volume [651.8637]
_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
[
  K  K0  4  0.0000  0.4070  0.2500  1.0
  Ba  Ba1  4  0.0000  0.1656  0.7500  1.0
  H  H2  8  0.2378  0.3296  0.7520  1.0
  F  F3  8  0.0973  0.0401  0.5002  1.0
  F  F4  8  0.1345  0.3893  0.6540  1.0
  F  F5  8  0.1775  0.2520  0.1424  1.0
]