data_[Cr4Fe4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7217]
_cell_length_b [6.4499]
_cell_length_c [7.5226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrFeF5]
_chemical_formula_sum '[Cr4 Fe4 F20]'
_cell_volume [377.0894]
_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
[
  Cr  Cr0  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.0000  0.4912  0.2500  1.0
  F  F2  8  0.0135  0.2992  0.9754  1.0
  F  F3  8  0.2478  0.0254  0.6317  1.0
  F  F4  4  0.0000  0.0706  0.2500  1.0
]