data_[Cs2Zn2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5819]
_cell_length_b [8.6067]
_cell_length_c [8.8523]
_cell_angle_alpha [78.6665]
_cell_angle_beta [87.1327]
_cell_angle_gamma [87.4012]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsZnI3]
_chemical_formula_sum '[Cs2 Zn2 I6]'
_cell_volume [490.7501]
_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  2  0.2580  0.3231  0.8238  1.0
  Zn  Zn1  2  0.4993  0.8308  0.6537  1.0
  I  I2  2  0.2576  0.4166  0.3513  1.0
  I  I3  2  0.2678  0.8124  0.9063  1.0
  I  I4  2  0.2862  0.8994  0.3949  1.0
]