data_[Na4Se4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2292]
_cell_length_b [15.8421]
_cell_length_c [7.4107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaSeBr4]
_chemical_formula_sum '[Na4 Se4 Br16]'
_cell_volume [838.4869]
_cell_formula_units_Z [4]
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  4  0.0000  0.1782  0.7500  1.0
  Se  Se1  4  0.0000  0.3227  0.2500  1.0
  Br  Br2  8  0.2127  0.4348  0.2457  1.0
  Br  Br3  8  0.2160  0.2022  0.2368  1.0
]