data_[As4I8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2617]
_cell_length_b [12.6506]
_cell_length_c [15.4760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As(IF3)2]
_chemical_formula_sum '[As4 I8 F24]'
_cell_volume [1382.0232]
_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  0.0424  0.5000  0.2813  1.0
  I  I1  8  0.2156  0.2529  0.4135  1.0
  F  F2  8  0.1135  0.4000  0.6959  1.0
  F  F3  8  0.2039  0.3991  0.2660  1.0
  F  F4  4  0.0700  0.5000  0.8307  1.0
  F  F5  4  0.1567  0.5000  0.3979  1.0
]