data_[Na8In4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6058]
_cell_length_b [18.6832]
_cell_length_c [16.1780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2InAgI5]
_chemical_formula_sum '[Na8 In4 Ag4 I20]'
_cell_volume [1392.1204]
_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  0.0817  0.6520  1
  Na  Na1  4  0.0000  0.1642  0.2615  1
  In  In2  4  0.0000  0.4494  0.4440  1
  Ag  Ag3  4  0.0000  0.2398  0.0322  1
  I  I4  4  0.0000  0.0794  0.0696  1
  I  I5  4  0.0000  0.2479  0.6739  1
  I  I6  4  0.0000  0.2837  0.4121  1
  I  I7  4  0.0000  0.3953  0.0123  1
  I  I8  4  0.0000  0.4907  0.7664  1
]