data_[Rb9I4]
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 [P31m]
_cell_length_a [12.4297]
_cell_length_b [12.4297]
_cell_length_c [20.9795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Rb9I4]
_chemical_formula_sum '[Rb9 I4]'
_cell_volume [2807.0460]
_cell_formula_units_Z [1]
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  6  0.2036  0.4230  0.5862  1
  Rb  Rb1  3  0.0000  0.7716  0.4014  1
  I  I2  3  0.0000  0.5170  0.4925  1
  I  I3  1  0.0000  0.0000  0.3012  1
]