data_[Na1Ag2I1Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4845]
_cell_length_b [7.5388]
_cell_length_c [7.5574]
_cell_angle_alpha [83.7092]
_cell_angle_beta [65.8938]
_cell_angle_gamma [70.5742]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaAg2IBr6]
_chemical_formula_sum '[Na1 Ag2 I1 Br6]'
_cell_volume [366.9016]
_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  0.6517  0.5022  0.1162  1.0
  Ag  Ag1  1  0.0875  0.9100  0.0100  1.0
  Ag  Ag2  1  0.1114  0.3830  0.3766  1.0
  I  I3  1  0.6415  0.0543  0.6850  1.0
  Br  Br4  1  0.0463  0.2577  0.1015  1.0
  Br  Br5  1  0.2115  0.6950  0.2736  1.0
  Br  Br6  1  0.4255  0.3165  0.5014  1.0
  Br  Br7  1  0.4614  0.8110  0.6621  1.0
  Br  Br8  1  0.8301  0.2988  0.7177  1.0
  Br  Br9  1  0.8564  0.7868  0.8944  1.0
]