data_[Cs4Cd4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [8.6209]
_cell_length_b [6.0692]
_cell_length_c [8.4531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsCdF3]
_chemical_formula_sum '[Cs4 Cd4 F12]'
_cell_volume [410.2792]
_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
[
  Cs  Cs0  4  0.3749  0.2372  0.3622  1.0
  Cd  Cd1  4  0.0825  0.7431  0.6185  1.0
  F  F2  4  0.0513  0.5672  0.8605  1.0
  F  F3  4  0.1626  0.0801  0.0274  1.0
  F  F4  4  0.3478  0.7026  0.2691  1.0
]