data_[Ag4As4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4351]
_cell_length_b [18.2607]
_cell_length_c [7.3708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgAsI4]
_chemical_formula_sum '[Ag4 As4 I16]'
_cell_volume [940.5283]
_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
[
  Ag  Ag0  4  0.0000  0.4292  0.7500  1.0
  As  As1  4  0.0000  0.0706  0.2500  1.0
  I  I2  8  0.2319  0.8266  0.7454  1.0
  I  I3  8  0.2431  0.0545  0.7271  1.0
]