data_[Al2H12N4F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2473]
_cell_length_b [3.7801]
_cell_length_c [7.3338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.9097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlH6N2F3]
_chemical_formula_sum '[Al2 H12 N4 F6]'
_cell_volume [208.0670]
_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  2  0.0000  0.0000  0.0000  1.0
  H  H1  8  0.1759  0.2866  0.7489  1.0
  H  H2  4  0.1771  0.5000  0.5552  1.0
  N  N3  4  0.2304  0.5000  0.7341  1.0
  F  F4  4  0.0113  0.0000  0.7661  1.0
  F  F5  2  0.0000  0.5000  0.0000  1.0
]