data_[As4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9178]
_cell_length_b [5.8013]
_cell_length_c [6.1394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AsOF]
_chemical_formula_sum '[As4 O4 F4]'
_cell_volume [206.8233]
_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  0.2149  0.5057  0.6357  1.0
  O  O1  4  0.0579  0.6516  0.3818  1.0
  F  F2  4  0.3508  0.2122  0.9833  1.0
]