data_[Cs2Li2Ni2I8]
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
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1480]
_cell_length_b [8.1670]
_cell_length_c [11.4650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiNiI4]
_chemical_formula_sum '[Cs2 Li2 Ni2 I8]'
_cell_volume [558.6686]
_cell_formula_units_Z [2]
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  2  0.3387  0.2500  0.1389  1.0
  Li  Li1  2  0.0714  0.2500  0.5053  1.0
  Ni  Ni2  2  0.1919  0.7500  0.2952  1.0
  I  I3  4  0.0659  0.0029  0.6933  1.0
  I  I4  2  0.2550  0.7500  0.0837  1.0
  I  I5  2  0.4578  0.7500  0.5014  1.0
]