data_[Cs1Li2Cu2I6]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8146]
_cell_length_b [8.7174]
_cell_length_c [9.1910]
_cell_angle_alpha [63.7016]
_cell_angle_beta [66.9032]
_cell_angle_gamma [64.3794]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2(CuI3)2]
_chemical_formula_sum '[Cs1 Li2 Cu2 I6]'
_cell_volume [490.2784]
_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  0.5000  0.5000  0.5000  1.0
  Li  Li1  2  0.3934  0.9403  0.9089  1.0
  Cu  Cu2  2  0.0640  0.9123  0.2080  1.0
  I  I3  2  0.2097  0.1567  0.1181  1.0
  I  I4  2  0.2638  0.1209  0.6195  1.0
  I  I5  2  0.2858  0.6361  0.1214  1.0
]