data_[Fe8Bi4F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.2857]
_cell_length_b [9.4778]
_cell_length_c [10.6852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Fe2BiF11]
_chemical_formula_sum '[Fe8 Bi4 F44]'
_cell_volume [737.8424]
_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
[
  Fe  Fe0  8  0.1304  0.1830  0.0000  1
  Bi  Bi1  4  0.0000  0.5000  0.2500  1
  F  F2  16  0.1009  0.3143  0.1514  1
  F  F3  16  0.2285  0.4390  0.3636  1
  F  F4  8  0.1351  0.2264  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]