data_[K1B1F4]
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 [P1]
_cell_length_a [5.0919]
_cell_length_b [5.1347]
_cell_length_c [5.2981]
_cell_angle_alpha [96.9594]
_cell_angle_beta [115.9880]
_cell_angle_gamma [114.1469]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KBF4]
_chemical_formula_sum '[K1 B1 F4]'
_cell_volume [105.7243]
_cell_formula_units_Z [1]
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  1  0.9838  0.5452  0.4128  1.0
  B  B1  1  0.4690  0.8210  0.1501  1.0
  F  F2  1  0.2394  0.9146  0.1379  1.0
  F  F3  1  0.3040  0.4971  0.0574  1.0
  F  F4  1  0.5815  0.9206  0.9575  1.0
  F  F5  1  0.7583  0.9555  0.4523  1.0
]