data_[Al1In1Pb1F6]
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 [P3]
_cell_length_a [5.7326]
_cell_length_b [5.7326]
_cell_length_c [5.2520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [AlInPbF6]
_chemical_formula_sum '[Al1 In1 Pb1 F6]'
_cell_volume [149.4725]
_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  0.6667  0.3333  0.4777  1.0
  In  In1  1  0.0000  0.0000  0.0541  1.0
  Pb  Pb2  1  0.3333  0.6667  0.5916  1.0
  F  F3  3  0.3674  0.1343  0.6753  1.0
  F  F4  3  0.4760  0.4496  0.2830  1.0
]