data_[Na4Zn4Cu8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7783]
_cell_length_b [14.1868]
_cell_length_c [7.8637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaZn(CuI3)2]
_chemical_formula_sum '[Na4 Zn4 Cu8 I24]'
_cell_volume [1523.4051]
_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
[
  Na  Na0  4  0.0000  0.1228  0.2500  1.0
  Zn  Zn1  4  0.0000  0.1891  0.7500  1.0
  Cu  Cu2  8  0.1867  0.4302  0.1921  1.0
  I  I3  8  0.1133  0.2582  0.0678  1.0
  I  I4  8  0.1206  0.0707  0.6666  1.0
  I  I5  8  0.1282  0.4390  0.4587  1.0
]