data_[Al1In1Sn1F6]
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
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3140]
_cell_length_b [5.6154]
_cell_length_c [5.6238]
_cell_angle_alpha [63.2017]
_cell_angle_beta [89.9273]
_cell_angle_gamma [89.8578]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlInSnF6]
_chemical_formula_sum '[Al1 In1 Sn1 F6]'
_cell_volume [149.7930]
_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  0.4871  0.6709  0.6701  1.0
  In  In1  1  0.0295  0.0019  0.0062  1.0
  Sn  Sn2  1  0.5700  0.3460  0.3569  1.0
  F  F3  1  0.2690  0.5067  0.5222  1.0
  F  F4  1  0.3027  0.9817  0.5325  1.0
  F  F5  1  0.3117  0.5362  0.9849  1.0
  F  F6  1  0.6509  0.7827  0.3477  1.0
  F  F7  1  0.6625  0.3553  0.7850  1.0
  F  F8  1  0.7167  0.8188  0.7943  1.0
]