data_[Na2Li4Cu2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [I-42m]
_cell_length_a [6.6249]
_cell_length_b [6.6249]
_cell_length_c [12.5728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [NaLi2CuI4]
_chemical_formula_sum '[Na2 Li4 Cu2 I8]'
_cell_volume [551.8131]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  4  0.0000  0.5000  0.2500  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.2226  0.2226  0.8705  1.0
]