data_[Cs6Ga2I8]
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 [Pmn2_1]
_cell_length_a [15.0306]
_cell_length_b [7.7979]
_cell_length_c [7.7962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cs3GaI4]
_chemical_formula_sum '[Cs6 Ga2 I8]'
_cell_volume [913.7762]
_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  4  0.2500  0.7511  0.0542  1.0
  Cs  Cs1  2  0.0000  0.7592  0.5626  1.0
  Ga  Ga2  2  0.0000  0.2317  0.0334  1.0
  I  I3  4  0.2340  0.2519  0.0548  1.0
  I  I4  2  0.0000  0.2563  0.6406  1.0
  I  I5  2  0.0000  0.8392  0.0606  1.0
]