data_[Cd3Ga6F18]
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 [R3]
_cell_length_a [5.9915]
_cell_length_b [5.9915]
_cell_length_c [15.3790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CdGa2F6]
_chemical_formula_sum '[Cd3 Ga6 F18]'
_cell_volume [478.1133]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6897  1.0
  Ga  Ga1  3  0.0000  0.0000  0.1654  1.0
  Ga  Ga2  3  0.0000  0.0000  0.4906  1.0
  F  F3  9  0.0366  0.5991  0.0908  1.0
  F  F4  9  0.1189  0.3889  0.2387  1.0
]