data_[Na8Ca4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  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 [4.5525]
_cell_length_b [20.5548]
_cell_length_c [16.3991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2CaAgI5]
_chemical_formula_sum '[Na8 Ca4 Ag4 I20]'
_cell_volume [1534.5515]
_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  0.0237  0.4013  1.0
  Na  Na1  4  0.0000  0.0881  0.6580  1.0
  Ca  Ca2  4  0.0000  0.2581  0.0125  1.0
  Ag  Ag3  4  0.0000  0.3732  0.4142  1.0
  I  I4  4  0.0000  0.1026  0.0196  1.0
  I  I5  4  0.0000  0.2378  0.3774  1.0
  I  I6  4  0.0000  0.2390  0.6444  1.0
  I  I7  4  0.0000  0.4142  0.0145  1.0
  I  I8  4  0.0000  0.4654  0.2821  1.0
]