data_[Al1In2Pb1F6]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4180]
_cell_length_b [5.8409]
_cell_length_c [6.0708]
_cell_angle_alpha [72.7002]
_cell_angle_beta [71.8561]
_cell_angle_gamma [89.5409]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlIn2PbF6]
_chemical_formula_sum '[Al1 In2 Pb1 F6]'
_cell_volume [173.5477]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.0000  1
  In  In1  2  0.1967  0.7807  0.5080  1
  Pb  Pb2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.2303  0.4566  0.2907  1
  F  F4  2  0.2759  0.4034  0.8598  1
  F  F5  2  0.4271  0.8092  0.8924  1
]