data_[Rb6Sn2I12]
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 [P2_1/c]
_cell_length_a [8.7082]
_cell_length_b [9.3750]
_cell_length_c [14.9474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3SnI6]
_chemical_formula_sum '[Rb6 Sn2 I12]'
_cell_volume [1015.0600]
_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  0.2907  0.5805  0.2577  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.0950  0.5564  0.7264  1.0
  I  I4  4  0.2384  0.2280  0.5764  1.0
  I  I5  4  0.3362  0.6743  0.5521  1.0
]