data_[Li3In6F21]
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 [R-3m]
_cell_length_a [3.8413]
_cell_length_b [3.8413]
_cell_length_c [29.6701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiIn2F7]
_chemical_formula_sum '[Li3 In6 F21]'
_cell_volume [379.1500]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  In  In1  6  0.0000  0.0000  0.0706  1
  F  F2  6  0.0000  0.0000  0.1397  1
  F  F3  6  0.0000  0.0000  0.2799  1
  F  F4  6  0.0000  0.0000  0.4234  1
  F  F5  3  0.0000  0.0000  0.0000  1
]