data_[Na4Cu4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9510]
_cell_length_b [5.6544]
_cell_length_c [9.2379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCuI4]
_chemical_formula_sum '[Na4 Cu4 I16]'
_cell_volume [1036.8197]
_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  0.2430  0.0000  0.2758  1.0
  Cu  Cu1  4  0.1020  0.0000  0.7877  1.0
  I  I2  4  0.0222  0.0000  0.3560  1.0
  I  I3  4  0.1071  0.0000  0.0737  1.0
  I  I4  4  0.1084  0.5000  0.8220  1.0
  I  I5  4  0.2040  0.0000  0.6300  1.0
]