data_[Cs2Ba4In4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.9435]
_cell_length_b [27.6687]
_cell_length_c [6.9466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsBa2In2I7]
_chemical_formula_sum '[Cs2 Ba4 In4 I14]'
_cell_volume [1334.5716]
_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  0.8714  1.0
  Ba  Ba1  4  0.0000  0.3781  0.0000  1.0
  In  In2  4  0.0000  0.2490  0.5057  1.0
  I  I3  4  0.0000  0.1136  0.5050  1.0
  I  I4  4  0.0000  0.2530  0.0060  1.0
  I  I5  4  0.0000  0.3740  0.5030  1.0
  I  I6  2  0.0000  0.5000  0.0899  1.0
]