data_[Na6Sr3Zn3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3767]
_cell_length_b [7.3767]
_cell_length_c [19.7254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2SrZnBr6]
_chemical_formula_sum '[Na6 Sr3 Zn3 Br18]'
_cell_volume [929.5702]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0167  1.0
  Na  Na1  3  0.0000  0.0000  0.5216  1.0
  Sr  Sr2  3  0.0000  0.0000  0.8181  1.0
  Zn  Zn3  3  0.0000  0.0000  0.3220  1.0
  Br  Br4  9  0.0048  0.7154  0.4089  1.0
  Br  Br5  9  0.0421  0.3471  0.9186  1.0
]