data_[Na4Mg4Cu8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  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 [13.8338]
_cell_length_b [13.3653]
_cell_length_c [7.4227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMg(CuI3)2]
_chemical_formula_sum '[Na4 Mg4 Cu8 I24]'
_cell_volume [1353.6738]
_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  0.0865  0.2500  1.0
  Mg  Mg1  4  0.0000  0.2684  0.7500  1.0
  Cu  Cu2  8  0.1824  0.4148  0.2979  1.0
  I  I3  8  0.1205  0.2612  0.1027  1.0
  I  I4  8  0.1242  0.1008  0.6438  1.0
  I  I5  8  0.1324  0.4204  0.6205  1.0
]