data_[Cs4Ag2As2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/c]
_cell_length_a [8.4879]
_cell_length_b [8.4808]
_cell_length_c [14.4171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2AgAsI6]
_chemical_formula_sum '[Cs4 Ag2 As2 I12]'
_cell_volume [840.2580]
_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
[
  Cs  Cs0  4  0.2499  0.5040  0.7502  1.0
  Ag  Ag1  2  0.5000  0.0000  0.0000  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.2250  0.7472  0.4929  1.0
  I  I4  4  0.2438  0.2330  0.4918  1.0
  I  I5  4  0.2620  0.0013  0.7470  1.0
]