data_[Cs2Ga2I8]
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 [P2_1/m]
_cell_length_a [7.5855]
_cell_length_b [12.0612]
_cell_length_c [7.7399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsGaI4]
_chemical_formula_sum '[Cs2 Ga2 I8]'
_cell_volume [700.0907]
_cell_formula_units_Z [2]
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  2  0.3522  0.7500  0.2802  1.0
  Ga  Ga1  2  0.1282  0.2500  0.2245  1.0
  I  I2  4  0.2756  0.0781  0.3885  1.0
  I  I3  2  0.1710  0.2500  0.8983  1.0
  I  I4  2  0.2129  0.7500  0.7642  1.0
]