data_[Ga8Cu4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [15.6649]
_cell_length_b [15.8440]
_cell_length_c [8.7132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga2CuI6]
_chemical_formula_sum '[Ga8 Cu4 I24]'
_cell_volume [1835.0772]
_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
[
  Ga  Ga0  8  0.2066  0.4123  0.3089  1.0
  Cu  Cu1  4  0.0000  0.1946  0.2500  1.0
  I  I2  8  0.0972  0.0935  0.5328  1.0
  I  I3  8  0.1231  0.2630  0.1740  1.0
  I  I4  8  0.1439  0.4830  0.5177  1.0
]