data_[Al4Fe6F30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4415]
_cell_length_b [6.1974]
_cell_length_c [10.9308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Fe3F15]
_chemical_formula_sum '[Al4 Fe6 F30]'
_cell_volume [552.9106]
_cell_formula_units_Z [2]
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
[
  Al  Al0  4  0.1467  0.5000  0.1525  1
  Fe  Fe1  4  0.1201  0.5000  0.6290  1
  Fe  Fe2  2  0.0000  0.0000  0.0000  1
  F  F3  8  0.1230  0.2059  0.1316  1
  F  F4  4  0.0000  0.3021  0.5000  1
  F  F5  4  0.0396  0.5000  0.7728  1
  F  F6  4  0.1723  0.0000  0.3740  1
  F  F7  4  0.1825  0.0000  0.9240  1
  F  F8  4  0.2251  0.0000  0.6975  1
  F  F9  2  0.0000  0.5000  0.0000  1
]