data_[Rb4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [18.6405]
_cell_length_b [5.5030]
_cell_length_c [18.6405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [RbI]
_chemical_formula_sum '[Rb4 I4]'
_cell_volume [1655.9369]
_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
[
  Rb  Rb0  2  0.1421  0.5258  0.4294  1
  Rb  Rb1  2  0.1630  0.2777  0.7035  1
  I  I2  2  0.0513  0.7754  0.7152  1
  I  I3  2  0.2193  0.0237  0.5651  1
]