data_[Cs2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3442]
_cell_length_b [6.8872]
_cell_length_c [9.9598]
_cell_angle_alpha [93.5908]
_cell_angle_beta [103.7911]
_cell_angle_gamma [103.0540]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsI2]
_chemical_formula_sum '[Cs2 I4]'
_cell_volume [344.1834]
_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  0.3280  0.2509  0.8083  1.0
  I  I1  2  0.0305  0.3080  0.1420  1.0
  I  I2  2  0.3591  0.1039  0.3945  1.0
]