data_[Na1Ag2Se1Br8]
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 [P2/m]
_cell_length_a [6.6698]
_cell_length_b [8.0434]
_cell_length_c [7.1242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaAg2SeBr8]
_chemical_formula_sum '[Na1 Ag2 Se1 Br8]'
_cell_volume [379.1164]
_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  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  2  0.5000  0.2520  0.5000  1.0
  Se  Se2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2134  0.2216  0.8568  1.0
  Br  Br4  2  0.2559  0.5000  0.3767  1.0
  Br  Br5  2  0.2778  0.0000  0.3416  1.0
]