data_[Cs1Li2In1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5313]
_cell_length_b [7.7552]
_cell_length_c [8.5161]
_cell_angle_alpha [103.5445]
_cell_angle_beta [98.3490]
_cell_angle_gamma [109.4857]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLi2InI6]
_chemical_formula_sum '[Cs1 Li2 In1 I6]'
_cell_volume [442.1244]
_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
[
  Cs  Cs0  1  0.4993  0.3281  0.8432  1.0
  Li  Li1  1  0.0798  0.5258  0.3967  1.0
  Li  Li2  1  0.1283  0.9883  0.1668  1.0
  In  In3  1  0.6512  0.0134  0.3282  1.0
  I  I4  1  0.3376  0.7726  0.0255  1.0
  I  I5  1  0.4490  0.8226  0.5498  1.0
  I  I6  1  0.4577  0.2866  0.3607  1.0
  I  I7  1  0.8561  0.7400  0.2704  1.0
  I  I8  1  0.8961  0.2026  0.1060  1.0
  I  I9  1  0.9681  0.3049  0.6142  1.0
]