data_[Rb4Sn6I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9524]
_cell_length_b [9.4104]
_cell_length_c [8.2050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Sn3I8]
_chemical_formula_sum '[Rb4 Sn6 I16]'
_cell_volume [1321.0255]
_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
[
  Rb  Rb0  4  0.2385  0.5000  0.6688  1.0
  Sn  Sn1  4  0.0000  0.2564  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  I  I3  8  0.1057  0.2370  0.3937  1.0
  I  I4  4  0.1078  0.0000  0.8965  1.0
  I  I5  4  0.1110  0.5000  0.9512  1.0
]