data_[Al4In12F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.5614]
_cell_length_b [8.9341]
_cell_length_c [10.7204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [AlIn3F6]
_chemical_formula_sum '[Al4 In12 F24]'
_cell_volume [724.2059]
_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
[
  Al  Al0  4  0.0000  0.0000  0.0000  1.0
  In  In1  8  0.2500  0.2500  0.2500  1.0
  In  In2  4  0.0000  0.0000  0.5000  1.0
  F  F3  16  0.1733  0.0000  0.8783  1.0
  F  F4  8  0.0000  0.2055  0.0000  1.0
]