data_[Mg4Cu8I4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8448]
_cell_length_b [9.0905]
_cell_length_c [5.3553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgCu2IO6]
_chemical_formula_sum '[Mg4 Cu8 I4 O24]'
_cell_volume [474.6100]
_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
[
  Mg  Mg0  4  0.0000  0.0879  0.2500  1.0
  Cu  Cu1  8  0.1889  0.4057  0.3052  1.0
  I  I2  4  0.0000  0.2628  0.7500  1.0
  O  O3  8  0.1048  0.2480  0.0802  1.0
  O  O4  8  0.1069  0.0966  0.6247  1.0
  O  O5  8  0.1237  0.4072  0.6379  1.0
]