data_[Be8Fe4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  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 [9.6108]
_cell_length_b [9.0792]
_cell_length_c [5.2322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Be2FeF6]
_chemical_formula_sum '[Be8 Fe4 F24]'
_cell_volume [433.1775]
_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
[
  Be  Be0  8  0.1980  0.4207  0.7319  1
  Fe  Fe1  4  0.0000  0.1120  0.7500  1
  F  F2  8  0.1258  0.0670  0.1607  1
  F  F3  8  0.1451  0.2606  0.6979  1
  F  F4  8  0.1456  0.4962  0.9563  1
]