data_[Li8Cu8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ima2]
_cell_length_a [18.6628]
_cell_length_b [7.6621]
_cell_length_c [7.6515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Li2Cu2I5]
_chemical_formula_sum '[Li8 Cu8 I20]'
_cell_volume [1094.1288]
_cell_formula_units_Z [4]
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
[
  Li  Li0  8  0.1247  0.5362  0.0785  1.0
  Cu  Cu1  4  0.0000  0.0000  0.9446  1.0
  Cu  Cu2  4  0.2500  0.0779  0.0633  1.0
  I  I3  8  0.0362  0.2454  0.6879  1.0
  I  I4  8  0.1449  0.6131  0.4407  1.0
  I  I5  4  0.2500  0.1089  0.4137  1.0
]