data_[Na2Br2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8950]
_cell_length_b [7.4071]
_cell_length_c [8.2286]
_cell_angle_alpha [97.4875]
_cell_angle_beta [90.8711]
_cell_angle_gamma [100.6379]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaBrCl3]
_chemical_formula_sum '[Na2 Br2 Cl6]'
_cell_volume [290.4859]
_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  1  0.2491  0.2429  0.2917  1
  Na  Na1  1  0.6883  0.0312  0.7895  1
  Br  Br2  1  0.6176  0.4116  0.5934  1
  Br  Br3  1  0.9897  0.5843  0.0120  1
  Cl  Cl4  1  0.1593  0.8778  0.9375  1
  Cl  Cl5  1  0.1930  0.1503  0.6413  1
  Cl  Cl6  1  0.4533  0.9283  0.4063  1
  Cl  Cl7  1  0.6673  0.7818  0.2343  1
  Cl  Cl8  1  0.7861  0.2740  0.0984  1
  Cl  Cl9  1  0.9982  0.6099  0.5329  1
]