data_[Li1In1Sn2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.6680]
_cell_length_b [6.2076]
_cell_length_c [6.5122]
_cell_angle_alpha [107.7096]
_cell_angle_beta [94.1525]
_cell_angle_gamma [113.0244]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiInSn2F6]
_chemical_formula_sum '[Li1 In1 Sn2 F6]'
_cell_volume [196.0381]
_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
[
  Li  Li0  1  0.3122  0.6123  0.7813  1.0
  In  In1  1  0.7402  0.5103  0.1912  1.0
  Sn  Sn2  1  0.5103  0.1060  0.4994  1.0
  Sn  Sn3  1  0.9822  0.9370  0.8876  1.0
  F  F4  1  0.1585  0.8403  0.2558  1.0
  F  F5  1  0.2895  0.3033  0.6134  1.0
  F  F6  1  0.3433  0.9111  0.7178  1.0
  F  F7  1  0.6213  0.7532  0.0131  1.0
  F  F8  1  0.7445  0.7802  0.5637  1.0
  F  F9  1  0.9595  0.5696  0.8150  1.0
]