data_[K8B8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2681]
_cell_length_b [12.5633]
_cell_length_c [7.2734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBF3]
_chemical_formula_sum '[K8 B8 F24]'
_cell_volume [647.0251]
_cell_formula_units_Z [8]
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  0.1237  0.2500  1
  K  K1  4  0.0000  0.3252  0.7500  1
  B  B2  8  0.1239  0.3916  0.2812  1
  F  F3  8  0.1992  0.3540  0.4721  1
  F  F4  8  0.2034  0.3176  0.1607  1
  F  F5  8  0.2175  0.4929  0.2710  1
]