data_[As8I24F48]
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 [Cmce]
_cell_length_a [10.7797]
_cell_length_b [11.1106]
_cell_length_c [13.0433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [As(IF2)3]
_chemical_formula_sum '[As8 I24 F48]'
_cell_volume [1562.1669]
_cell_formula_units_Z [8]
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  8  0.0000  0.1890  0.4387  1
  I  I1  16  0.1600  0.0631  0.1218  1
  I  I2  8  0.2500  0.0974  0.7500  1
  F  F3  16  0.1138  0.2342  0.3478  1
  F  F4  16  0.1167  0.1585  0.5291  1
  F  F5  8  0.0000  0.0440  0.3882  1
  F  F6  8  0.0000  0.1581  0.9839  1
]