data_[Na4Sr4In8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [4.8158]
_cell_length_b [20.4057]
_cell_length_c [16.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaSrIn2I5]
_chemical_formula_sum '[Na4 Sr4 In8 I20]'
_cell_volume [1609.9088]
_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
[
  Na  Na0  4  0.0000  0.4540  0.4516  1
  Sr  Sr1  4  0.0000  0.2296  0.0274  1
  In  In2  4  0.0000  0.0874  0.6572  1
  In  In3  4  0.0000  0.1211  0.2704  1
  I  I4  4  0.0000  0.0701  0.0687  1
  I  I5  4  0.0000  0.2615  0.6684  1
  I  I6  4  0.0000  0.2998  0.3961  1
  I  I7  4  0.0000  0.3887  0.0099  1
  I  I8  4  0.0000  0.4946  0.7744  1
]