data_[Cs2H2I2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4832]
_cell_length_b [8.3892]
_cell_length_c [8.7056]
_cell_angle_alpha [69.5574]
_cell_angle_beta [71.6448]
_cell_angle_gamma [88.6615]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHIF7]
_chemical_formula_sum '[Cs2 H2 I2 F14]'
_cell_volume [354.4503]
_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  0.0755  0.8329  0.7702  1.0
  H  H1  2  0.3679  0.2259  0.4452  1.0
  I  I2  2  0.4451  0.6513  0.2615  1.0
  F  F3  2  0.1428  0.5168  0.2792  1.0
  F  F4  2  0.2096  0.8092  0.3353  1.0
  F  F5  2  0.2665  0.1679  0.8320  1.0
  F  F6  2  0.3128  0.1266  0.4181  1.0
  F  F7  2  0.3234  0.4595  0.8879  1.0
  F  F8  2  0.4029  0.7808  0.0445  1.0
  F  F9  2  0.4688  0.3572  0.4698  1.0
]