data_[Rb8Sr4Li4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8930]
_cell_length_b [21.3750]
_cell_length_c [15.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2SrLiI5]
_chemical_formula_sum '[Rb8 Sr4 Li4 I20]'
_cell_volume [1632.9611]
_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  0.1068  0.6805  1.0
  Rb  Rb1  4  0.0000  0.1231  0.3305  1.0
  Sr  Sr2  4  0.0000  0.2011  0.0265  1.0
  Li  Li3  4  0.0000  0.4414  0.4293  1.0
  I  I4  4  0.0000  0.0481  0.0201  1.0
  I  I5  4  0.0000  0.2915  0.6711  1.0
  I  I6  4  0.0000  0.3108  0.3807  1.0
  I  I7  4  0.0000  0.3523  0.0089  1.0
  I  I8  4  0.0000  0.4991  0.7764  1.0
]