data_[Cs1Li2Y1I6]
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
  Y  1.2200  1.8000  1.0400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7809]
_cell_length_b [8.2201]
_cell_length_c [8.7231]
_cell_angle_alpha [104.5107]
_cell_angle_beta [102.2493]
_cell_angle_gamma [115.8452]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLi2YI6]
_chemical_formula_sum '[Cs1 Li2 Y1 I6]'
_cell_volume [451.8218]
_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  0.9102  0.4476  0.3590  1.0
  Li  Li1  1  0.0340  0.1070  0.9531  1.0
  Li  Li2  1  0.4465  0.1461  0.6716  1.0
  Y  Y3  1  0.3371  0.6694  0.0038  1.0
  I  I4  1  0.2013  0.8882  0.8026  1.0
  I  I5  1  0.3383  0.9340  0.3209  1.0
  I  I6  1  0.3409  0.4282  0.6809  1.0
  I  I7  1  0.3908  0.4339  0.2026  1.0
  I  I8  1  0.7919  0.9278  0.1209  1.0
  I  I9  1  0.8707  0.3409  0.8695  1.0
]