data_[K4Mg4Cu8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [15.4960]
_cell_length_b [14.3285]
_cell_length_c [8.6515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMg(CuI3)2]
_chemical_formula_sum '[K4 Mg4 Cu8 I24]'
_cell_volume [1717.2710]
_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
[
  K  K0  4  0.0000  0.1512  0.2500  1.0
  Mg  Mg1  4  0.0000  0.1831  0.7500  1.0
  Cu  Cu2  8  0.1919  0.4395  0.1592  1.0
  I  I3  8  0.1194  0.0601  0.6784  1.0
  I  I4  8  0.1247  0.2618  0.0551  1.0
  I  I5  8  0.1322  0.4538  0.3944  1.0
]