data_[Ag4As2I2]
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 [Pmm2]
_cell_length_a [4.7482]
_cell_length_b [8.3907]
_cell_length_c [18.6907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ag2AsI]
_chemical_formula_sum '[Ag4 As2 I2]'
_cell_volume [744.6401]
_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  0.3230  0.5203  1
  Ag  Ag1  1  0.0000  0.0000  0.5746  1
  Ag  Ag2  1  0.5000  0.5000  0.4870  1
  As  As3  2  0.5000  0.2016  0.5447  1
  I  I4  1  0.0000  0.5000  0.3771  1
  I  I5  1  0.5000  0.0000  0.4312  1
]