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 [5.4284]
_cell_length_b [5.8565]
_cell_length_c [6.0910]
_cell_angle_alpha [72.7091]
_cell_angle_beta [71.8605]
_cell_angle_gamma [89.5851]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlIn2PbF6]
_chemical_formula_sum '[Al1 In2 Pb1 F6]'
_cell_volume [174.9257]
_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  1.0
  In  In1  2  0.1972  0.7803  0.5079  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.2305  0.4567  0.2903  1.0
  F  F4  2  0.2760  0.4034  0.8601  1.0
  F  F5  2  0.4270  0.8090  0.8927  1.0
]