data_[Zn8Ga4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4087]
_cell_length_b [15.6825]
_cell_length_c [7.2750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn2GaI6]
_chemical_formula_sum '[Zn8 Ga4 I24]'
_cell_volume [1636.0158]
_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
[
  Zn  Zn0  8  0.2158  0.4237  0.8497  1
  Ga  Ga1  4  0.0000  0.2035  0.7500  1
  I  I2  8  0.1086  0.1111  0.0955  1
  I  I3  8  0.1183  0.2997  0.6149  1
  I  I4  8  0.1725  0.4256  0.1687  1
]