data_[Cs2H2I2F2]
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 [Cm]
_cell_length_a [8.6953]
_cell_length_b [5.7764]
_cell_length_c [5.2917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsHIF]
_chemical_formula_sum '[Cs2 H2 I2 F2]'
_cell_volume [265.4546]
_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  0.3295  0.5000  0.1718  1.0
  H  H1  2  0.4033  0.0000  0.9018  1.0
  I  I2  2  0.1940  0.0000  0.6424  1.0
  F  F3  2  0.4816  0.0000  0.0449  1.0
]