data_[Al4P2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.2781]
_cell_length_b [9.4399]
_cell_length_c [18.1645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Al2PF3]
_chemical_formula_sum '[Al4 P2 F6]'
_cell_volume [905.0370]
_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  0.0000  0.3633  0.5077  1
  P  P1  2  0.0000  0.5000  0.6068  1
  F  F2  4  0.2500  0.2500  0.4726  1
  F  F3  2  0.0000  0.5000  0.4326  1
]