data_[As1H1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [5.0089]
_cell_length_b [5.0418]
_cell_length_c [5.1071]
_cell_angle_alpha [114.9619]
_cell_angle_beta [93.6126]
_cell_angle_gamma [115.7157]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsHF6]
_chemical_formula_sum '[As1 H1 F6]'
_cell_volume [100.4480]
_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
[
  As  As0  1  0.0000  0.0000  0.0000  1.0
  H  H1  1  0.0000  0.5000  0.5000  1.0
  F  F2  2  0.0576  0.4315  0.2726  1.0
  F  F3  2  0.2168  0.1771  0.8054  1.0
  F  F4  2  0.3363  0.0963  0.2309  1.0
]