data_[Cd4Ga4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9451]
_cell_length_b [6.4890]
_cell_length_c [7.6655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdGaF5]
_chemical_formula_sum '[Cd4 Ga4 F20]'
_cell_volume [402.8233]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  4  0.0000  0.4567  0.2500  1.0
  Ga  Ga1  4  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0173  0.2931  0.9751  1.0
  F  F3  8  0.2294  0.0267  0.6190  1.0
  F  F4  4  0.0000  0.0724  0.2500  1.0
]