data_[K15H3F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8574]
_cell_length_b [3.8574]
_cell_length_c [47.2949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K5HF4]
_chemical_formula_sum '[K15 H3 F12]'
_cell_volume [609.4392]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2018  1.0
  K  K1  6  0.0000  0.0000  0.3991  1.0
  K  K2  3  0.0000  0.0000  0.0000  1.0
  H  H3  3  -0.0000  -0.0000  0.5000  1.0
  F  F4  6  0.0000  0.0000  0.0986  1.0
  F  F5  6  0.0000  0.0000  0.3005  1.0
]