data_[Al2F4]
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 [Pm]
_cell_length_a [3.5779]
_cell_length_b [2.8095]
_cell_length_c [21.8564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlF2]
_chemical_formula_sum '[Al2 F4]'
_cell_volume [219.7013]
_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  1  0.1953  0.5000  0.6825  1
  Al  Al1  1  0.5691  0.5000  0.4234  1
  F  F2  1  0.0692  0.5000  0.4234  1
  F  F3  1  0.1960  0.0000  0.6239  1
  F  F4  1  0.5691  0.0000  0.3688  1
  F  F5  1  0.5693  0.0000  0.4780  1
]