data_[Cs2Rb4Ba4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.0550]
_cell_length_b [29.2194]
_cell_length_c [7.0509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsRb2Ba2I7]
_chemical_formula_sum '[Cs2 Rb4 Ba4 I14]'
_cell_volume [1453.4986]
_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  0.0000  0.0000  0.1587  1.0
  Rb  Rb1  4  0.0000  0.2507  0.4918  1.0
  Ba  Ba2  4  0.0000  0.3848  0.9999  1.0
  I  I3  4  0.0000  0.1145  0.4793  1.0
  I  I4  4  0.0000  0.2672  0.9918  1.0
  I  I5  4  0.0000  0.3811  0.4949  1.0
  I  I6  2  0.0000  0.5000  0.9256  1.0
]