data_[Cs1In1Ag2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7322]
_cell_length_b [8.4096]
_cell_length_c [8.7505]
_cell_angle_alpha [66.8177]
_cell_angle_beta [69.2043]
_cell_angle_gamma [85.4791]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsIn(AgI3)2]
_chemical_formula_sum '[Cs1 In1 Ag2 I6]'
_cell_volume [487.7447]
_cell_formula_units_Z [1]
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  1  0.3901  0.0309  0.7354  1.0
  In  In1  1  0.1233  0.6938  0.4256  1.0
  Ag  Ag2  1  0.6925  0.6001  0.1048  1.0
  Ag  Ag3  1  0.6943  0.0147  0.1961  1.0
  I  I4  1  0.1848  0.4925  0.7326  1.0
  I  I5  1  0.2828  0.0274  0.2975  1.0
  I  I6  1  0.2911  0.5731  0.1558  1.0
  I  I7  1  0.7430  0.6933  0.4980  1.0
  I  I8  1  0.7809  0.2761  0.2838  1.0
  I  I9  1  0.8323  0.9365  0.8936  1.0
]