data_[Rb8Ga4Sn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8806]
_cell_length_b [20.8603]
_cell_length_c [16.6886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2GaSnI5]
_chemical_formula_sum '[Rb8 Ga4 Sn4 I20]'
_cell_volume [1699.0627]
_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  0.0000  0.0891  0.6530  1.0
  Rb  Rb1  4  0.0000  0.1326  0.3006  1.0
  Ga  Ga2  4  0.0000  0.4595  0.4512  1.0
  Sn  Sn3  4  0.0000  0.2234  0.0284  1.0
  I  I4  4  0.0000  0.0771  0.0690  1.0
  I  I5  4  0.0000  0.2640  0.6619  1.0
  I  I6  4  0.0000  0.3017  0.4038  1.0
  I  I7  4  0.0000  0.3763  0.9863  1.0
  I  I8  4  0.0000  0.4996  0.2696  1.0
]