data_[K2As2F8]
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 [Pmn2_1]
_cell_length_a [7.9470]
_cell_length_b [4.7060]
_cell_length_c [6.3091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KAsF4]
_chemical_formula_sum '[K2 As2 F8]'
_cell_volume [235.9483]
_cell_formula_units_Z [2]
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  2  0.0000  0.2054  0.9935  1.0
  As  As1  2  0.0000  0.8225  0.4970  1.0
  F  F2  4  0.1812  0.8559  0.6910  1.0
  F  F3  2  0.0000  0.4502  0.5606  1.0
  F  F4  2  0.0000  0.6839  0.1950  1.0
]