data_[Rb4Sn4I12]
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 [Pnma]
_cell_length_a [10.6830]
_cell_length_b [4.7769]
_cell_length_c [17.5542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbSnI3]
_chemical_formula_sum '[Rb4 Sn4 I12]'
_cell_volume [895.8237]
_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  4  0.0739  0.7500  0.3267  1.0
  Sn  Sn1  4  0.1638  0.2500  0.0597  1.0
  I  I2  4  0.0220  0.2500  0.8863  1.0
  I  I3  4  0.1611  0.2500  0.4952  1.0
  I  I4  4  0.2056  0.7500  0.7142  1.0
]