data_[K2As1H1F6]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4573]
_cell_length_b [6.3457]
_cell_length_c [6.3894]
_cell_angle_alpha [62.9170]
_cell_angle_beta [68.8105]
_cell_angle_gamma [65.7305]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2AsHF6]
_chemical_formula_sum '[K2 As1 H1 F6]'
_cell_volume [175.4039]
_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  0.2260  0.2977  0.2903  1.0
  K  K1  1  0.7435  0.7077  0.7524  1.0
  As  As2  1  0.9919  0.0087  0.0102  1.0
  H  H3  1  0.5888  0.2670  0.6550  1.0
  F  F4  1  0.1045  0.7896  0.2949  1.0
  F  F5  1  0.1561  0.7247  0.8908  1.0
  F  F6  1  0.4322  0.1991  0.6611  1.0
  F  F7  1  0.6746  0.9255  0.1300  1.0
  F  F8  1  0.7763  0.3212  0.6603  1.0
  F  F9  1  0.8050  0.2647  0.1539  1.0
]