data_[Na2Ag1I1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0179]
_cell_length_b [7.1862]
_cell_length_c [7.6370]
_cell_angle_alpha [87.7225]
_cell_angle_beta [63.2677]
_cell_angle_gamma [67.1847]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2AgICl6]
_chemical_formula_sum '[Na2 Ag1 I1 Cl6]'
_cell_volume [312.7966]
_cell_formula_units_Z [1]
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  1  0.9023  0.0303  0.0587  1.0
  Na  Na1  1  0.9826  0.5392  0.5314  1.0
  Ag  Ag2  1  0.3697  0.8315  0.4919  1.0
  I  I3  1  0.3412  0.3241  0.9713  1.0
  Cl  Cl4  1  0.1357  0.1416  0.2407  1.0
  Cl  Cl5  1  0.1868  0.2306  0.7584  1.0
  Cl  Cl6  1  0.4778  0.4085  0.2050  1.0
  Cl  Cl7  1  0.5318  0.5178  0.7193  1.0
  Cl  Cl8  1  0.7789  0.7685  0.3049  1.0
  Cl  Cl9  1  0.9699  0.8694  0.7033  1.0
]