data_[Rb8Sr4In4I20]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0045]
_cell_length_b [21.5791]
_cell_length_c [17.1453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2SrInI5]
_chemical_formula_sum '[Rb8 Sr4 In4 I20]'
_cell_volume [1851.5654]
_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  0.0774  0.6472  1.0
  Rb  Rb1  4  0.0000  0.1307  0.2992  1.0
  Sr  Sr2  4  0.0000  0.2346  0.0328  1.0
  In  In3  4  0.0000  0.4481  0.4481  1.0
  I  I4  4  0.0000  0.0870  0.0748  1.0
  I  I5  4  0.0000  0.2504  0.6645  1.0
  I  I6  4  0.0000  0.2899  0.4059  1.0
  I  I7  4  0.0000  0.3832  0.9874  1.0
  I  I8  4  0.0000  0.4957  0.7642  1.0
]