data_[Li2In2F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2377]
_cell_length_b [5.4519]
_cell_length_c [6.4718]
_cell_angle_alpha [93.0114]
_cell_angle_beta [90.2247]
_cell_angle_gamma [115.5980]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiInF3]
_chemical_formula_sum '[Li2 In2 F6]'
_cell_volume [166.3628]
_cell_formula_units_Z [2]
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  2  0.0074  0.7535  0.5018  1.0
  In  In1  2  0.4923  0.7128  0.1166  1.0
  F  F2  2  0.1793  0.5599  0.3485  1.0
  F  F3  2  0.2280  0.1048  0.6273  1.0
  F  F4  2  0.2366  0.9142  0.0408  1.0
]