data_[K1Sn1B1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7960]
_cell_length_b [5.1942]
_cell_length_c [7.3804]
_cell_angle_alpha [88.4345]
_cell_angle_beta [85.5063]
_cell_angle_gamma [67.6566]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KSnBF6]
_chemical_formula_sum '[K1 Sn1 B1 F6]'
_cell_volume [169.5313]
_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  0.4183  0.2604  0.6249  1.0
  Sn  Sn1  1  0.0446  0.9385  0.0350  1.0
  B  B2  1  0.7418  0.5879  0.3259  1.0
  F  F3  1  0.2011  0.7761  0.7784  1.0
  F  F4  1  0.4628  0.5635  0.3125  1.0
  F  F5  1  0.6133  0.0910  0.9453  1.0
  F  F6  1  0.7030  0.8575  0.3807  1.0
  F  F7  1  0.9050  0.5378  0.1475  1.0
  F  F8  1  0.9099  0.3870  0.4496  1.0
]