data_[Na4Se2Br12]
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 [P2_1/c]
_cell_length_a [7.1053]
_cell_length_b [7.4997]
_cell_length_c [12.3256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2SeBr6]
_chemical_formula_sum '[Na4 Se2 Br12]'
_cell_volume [552.2564]
_cell_formula_units_Z [2]
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  0.1912  0.1011  0.7258  1.0
  Se  Se1  2  0.5000  0.0000  0.5000  1.0
  Br  Br2  4  0.1467  0.1881  0.4406  1.0
  Br  Br3  4  0.2657  0.7071  0.4417  1.0
  Br  Br4  4  0.3915  0.0293  0.2615  1.0
]