data_[K3As1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7889]
_cell_length_b [6.8014]
_cell_length_c [6.8459]
_cell_angle_alpha [101.0978]
_cell_angle_beta [100.3621]
_cell_angle_gamma [105.5575]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3AsF6]
_chemical_formula_sum '[K3 As1 F6]'
_cell_volume [289.7289]
_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  0.0000  0.0000  0.5000  1.0
  K  K1  1  0.0000  0.5000  0.0000  1.0
  K  K2  1  0.5000  0.0000  0.0000  1.0
  As  As3  1  0.0000  0.0000  0.0000  1.0
  F  F4  2  0.0561  0.7797  0.7780  1.0
  F  F5  2  0.2111  0.9240  0.2125  1.0
  F  F6  2  0.2326  0.2231  0.9265  1.0
]