data_[Mn4Cd4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1017]
_cell_length_b [6.4093]
_cell_length_c [8.0095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnCdF5]
_chemical_formula_sum '[Mn4 Cd4 F20]'
_cell_volume [417.8857]
_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
[
  Mn  Mn0  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.0000  0.4584  0.2500  1.0
  F  F2  8  0.0140  0.2959  0.9636  1.0
  F  F3  8  0.2277  0.9793  0.1201  1.0
  F  F4  4  0.0000  0.1060  0.2500  1.0
]