data_[Cd4Pb4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6849]
_cell_length_b [4.0306]
_cell_length_c [7.1061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdPbF3]
_chemical_formula_sum '[Cd4 Pb4 F12]'
_cell_volume [397.1924]
_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  0.0209  0.5000  0.6956  1.0
  Pb  Pb1  4  0.2055  0.0000  0.2291  1.0
  F  F2  4  0.0413  0.0000  0.2127  1.0
  F  F3  4  0.1513  0.5000  0.9702  1.0
  F  F4  4  0.2175  0.0000  0.5937  1.0
]