data_[Cs4Rb4In4I16]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.5711]
_cell_length_b [19.3125]
_cell_length_c [8.5834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsRbInI4]
_chemical_formula_sum '[Cs4 Rb4 In4 I16]'
_cell_volume [1420.8055]
_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  4  0.0000  0.1077  0.7500  1
  Rb  Rb1  4  0.0000  0.3899  0.7500  1
  In  In2  4  0.0000  0.2518  0.2500  1
  I  I3  8  0.2500  0.2500  0.0000  1
  I  I4  4  0.0000  0.0882  0.2500  1
  I  I5  4  0.0000  0.4174  0.2500  1
]