data_[Na2Cd6F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9054]
_cell_length_b [6.0256]
_cell_length_c [10.3794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCd3F6]
_chemical_formula_sum '[Na2 Cd6 F12]'
_cell_volume [309.0930]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.2087  0.0567  0.7235  1.0
  Cd  Cd2  2  0.5000  0.0000  0.5000  1.0
  F  F3  4  0.1256  0.1706  0.4622  1.0
  F  F4  4  0.1907  0.7003  0.3848  1.0
  F  F5  4  0.4111  0.0942  0.2591  1.0
]