data_[Ag2As4I12]
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/m]
_cell_length_a [18.6658]
_cell_length_b [4.4984]
_cell_length_c [8.9532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag(AsI3)2]
_chemical_formula_sum '[Ag2 As4 I12]'
_cell_volume [721.9539]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  As  As1  4  0.1647  0.0000  0.3243  1
  I  I2  4  0.0099  0.0000  0.2388  1
  I  I3  4  0.1676  0.5000  0.5582  1
  I  I4  4  0.1728  0.5000  0.1201  1
]