data_[As4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.1179]
_cell_length_b [5.3799]
_cell_length_c [7.4693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [AsF3]
_chemical_formula_sum '[As4 F12]'
_cell_volume [286.0274]
_cell_formula_units_Z [4]
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  4  0.2156  0.4566  0.7519  1.0
  F  F1  4  0.0646  0.0901  0.3090  1.0
  F  F2  4  0.1795  0.6933  0.1467  1.0
  F  F3  4  0.1939  0.6233  0.5472  1.0
]