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 [Pm]
_cell_length_a [6.5845]
_cell_length_b [4.7959]
_cell_length_c [17.5123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KBF4]
_chemical_formula_sum '[K1 B1 F4]'
_cell_volume [553.0137]
_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  0.8292  0.5000  0.5758  1
  B  B1  1  0.3250  0.5000  0.4602  1
  F  F2  2  0.4242  0.2631  0.4709  1
  F  F3  1  0.1310  0.5000  0.4394  1
  F  F4  1  0.8955  0.0000  0.5829  1
]