data_[Cs2I10]
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 [P2_1/m]
_cell_length_a [6.2188]
_cell_length_b [17.6888]
_cell_length_c [6.4632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsI5]
_chemical_formula_sum '[Cs2 I10]'
_cell_volume [689.9573]
_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  0.0734  0.2500  0.5337  1.0
  I  I1  4  0.1086  0.0357  0.3170  1.0
  I  I2  4  0.3873  0.1309  0.1426  1.0
  I  I3  2  0.3333  0.7500  0.0531  1.0
]