data_[Al4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7613]
_cell_length_b [5.1058]
_cell_length_c [4.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlF3]
_chemical_formula_sum '[Al4 F12]'
_cell_volume [184.3462]
_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  0.2500  0.2500  0.5000  1.0
  F  F1  8  0.2425  0.0536  0.8037  1.0
  F  F2  4  0.0000  0.2625  0.2500  1.0
]