data_[Cs2Cd1I1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  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 [6.0834]
_cell_length_b [6.4709]
_cell_length_c [6.9952]
_cell_angle_alpha [110.9783]
_cell_angle_beta [112.8536]
_cell_angle_gamma [93.6884]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2CdIF6]
_chemical_formula_sum '[Cs2 Cd1 I1 F6]'
_cell_volume [230.2166]
_cell_formula_units_Z [1]
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  0.2658  0.7603  0.5176  1
  Cd  Cd1  1  0.0000  0.0000  0.0000  1
  I  I2  1  0.5000  0.5000  0.0000  1
  F  F3  2  0.1682  0.2564  0.3465  1
  F  F4  2  0.2147  0.2152  0.8663  1
  F  F5  2  0.3102  0.8310  0.1160  1
]