data_[Na4Se8Br24]
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 [17.0740]
_cell_length_b [10.3718]
_cell_length_c [8.8177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na(SeBr3)2]
_chemical_formula_sum '[Na4 Se8 Br24]'
_cell_volume [1450.5423]
_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  0.0748  0.7500  1.0
  Se  Se1  8  0.2407  0.3553  0.7775  1.0
  Br  Br2  8  0.0905  0.1188  0.1144  1.0
  Br  Br3  8  0.0917  0.2975  0.6252  1.0
  Br  Br4  8  0.2314  0.4469  0.0178  1.0
]