data_[Li1Ti1In1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.3315]
_cell_length_b [5.3315]
_cell_length_c [5.9218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [LiTiInF6]
_chemical_formula_sum '[Li1 Ti1 In1 F6]'
_cell_volume [145.7743]
_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  0.3333  0.6667  0.5000  1.0
  Ti  Ti1  1  0.6667  0.3333  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  F  F3  6  0.3949  0.0234  0.6834  1.0
]