data_[Cd2Re1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Re  1.9000  1.3500  0.7125
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.8162]
_cell_length_b [6.8162]
_cell_length_c [4.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cd2ReF8]
_chemical_formula_sum '[Cd2 Re1 F8]'
_cell_volume [175.3025]
_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
[
  Cd  Cd0  2  0.3333  0.6667  0.2616  1
  Re  Re1  1  0.0000  0.0000  0.5000  1
  F  F2  6  0.1423  0.2845  0.2587  1
  F  F3  2  0.3333  0.6667  0.7625  1
]