data_[Na2Ag1I1Br6]
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 [7.3309]
_cell_length_b [7.4573]
_cell_length_c [7.9228]
_cell_angle_alpha [87.5070]
_cell_angle_beta [63.6467]
_cell_angle_gamma [67.3732]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2AgIBr6]
_chemical_formula_sum '[Na2 Ag1 I1 Br6]'
_cell_volume [353.9772]
_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  0.8994  0.0390  0.0645  1.0
  Na  Na1  1  0.9914  0.5227  0.5283  1.0
  Ag  Ag2  1  0.3561  0.8372  0.4870  1.0
  I  I3  1  0.3481  0.3259  0.9739  1.0
  Br  Br4  1  0.1526  0.1263  0.2573  1.0
  Br  Br5  1  0.2029  0.2050  0.7538  1.0
  Br  Br6  1  0.4818  0.4351  0.2110  1.0
  Br  Br7  1  0.5190  0.5355  0.7094  1.0
  Br  Br8  1  0.7744  0.7565  0.2975  1.0
  Br  Br9  1  0.9512  0.8785  0.7020  1.0
]