data_[Cs1Li1As1I6]
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
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6337]
_cell_length_b [8.0764]
_cell_length_c [8.6975]
_cell_angle_alpha [102.1596]
_cell_angle_beta [95.5336]
_cell_angle_gamma [111.7913]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLiAsI6]
_chemical_formula_sum '[Cs1 Li1 As1 I6]'
_cell_volume [415.0761]
_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  0.8922  0.9414  0.1355  1.0
  Li  Li1  1  0.7502  0.3758  0.4693  1.0
  As  As2  1  0.3680  0.7026  0.5444  1.0
  I  I3  1  0.1388  0.3807  0.6307  1.0
  I  I4  1  0.3689  0.4594  0.1971  1.0
  I  I5  1  0.3764  0.9343  0.8219  1.0
  I  I6  1  0.4595  0.0111  0.3779  1.0
  I  I7  1  0.7791  0.7398  0.6386  1.0
  I  I8  1  0.8671  0.4551  0.1844  1.0
]