data_[Cs1Zr1Ag2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7782]
_cell_length_b [7.6219]
_cell_length_c [10.3103]
_cell_angle_alpha [84.6458]
_cell_angle_beta [73.6871]
_cell_angle_gamma [84.5327]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsZr(AgI4)2]
_chemical_formula_sum '[Cs1 Zr1 Ag2 I8]'
_cell_volume [507.6552]
_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  0.5000  0.0000  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.3291  0.4070  0.2058  1.0
  I  I3  2  0.0984  0.0962  0.2410  1.0
  I  I4  2  0.2604  0.4988  0.4729  1.0
  I  I5  2  0.2668  0.6703  0.9865  1.0
  I  I6  2  0.3197  0.1876  0.8363  1.0
]