data_[Cs8Ga12I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.8432]
_cell_length_b [23.3505]
_cell_length_c [9.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2Ga3I5]
_chemical_formula_sum '[Cs8 Ga12 I20]'
_cell_volume [2088.3348]
_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
[
  Cs  Cs0  8  0.1835  0.1912  0.5000  1.0
  Ga  Ga1  8  0.0609  0.4061  0.5000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.2500  1.0
  I  I3  8  0.0000  0.2991  0.2500  1.0
  I  I4  8  0.1238  0.0858  0.0000  1.0
  I  I5  4  0.0000  0.5000  0.2500  1.0
]