data_[Na2Zn2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2889]
_cell_length_b [7.5126]
_cell_length_c [9.5135]
_cell_angle_alpha [72.0999]
_cell_angle_beta [88.9479]
_cell_angle_gamma [71.6086]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaZnBr3]
_chemical_formula_sum '[Na2 Zn2 Br6]'
_cell_volume [340.0375]
_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  0.6988  0.7334  0.2177  1
  Na  Na1  1  0.8663  0.0175  0.4843  1
  Zn  Zn2  1  0.6611  0.6270  0.7244  1
  Zn  Zn3  1  0.7849  0.3078  0.0682  1
  Br  Br4  1  0.0968  0.9761  0.1799  1
  Br  Br5  1  0.3591  0.9605  0.6481  1
  Br  Br6  1  0.5236  0.3802  0.2679  1
  Br  Br7  1  0.5642  0.3179  0.8381  1
  Br  Br8  1  0.9236  0.6045  0.9571  1
  Br  Br9  1  0.9450  0.5969  0.5253  1
]