data_[Na1Ag2Se1Br6]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8141]
_cell_length_b [7.3824]
_cell_length_c [7.4641]
_cell_angle_alpha [68.2255]
_cell_angle_beta [68.5891]
_cell_angle_gamma [86.4910]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaAg2SeBr6]
_chemical_formula_sum '[Na1 Ag2 Se1 Br6]'
_cell_volume [323.4249]
_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  0.8460  0.4746  0.3501  1.0
  Ag  Ag1  1  0.0333  0.0449  0.9384  1.0
  Ag  Ag2  1  0.5148  0.5399  0.9661  1.0
  Se  Se3  1  0.3420  0.9724  0.3537  1.0
  Br  Br4  1  0.1726  0.2710  0.1109  1.0
  Br  Br5  1  0.2375  0.7650  0.1487  1.0
  Br  Br6  1  0.3996  0.1863  0.5200  1.0
  Br  Br7  1  0.4864  0.6844  0.5520  1.0
  Br  Br8  1  0.7841  0.3082  0.8035  1.0
  Br  Br9  1  0.8452  0.7383  0.9335  1.0
]