data_[Na8Li4Zn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0207]
_cell_length_b [20.8920]
_cell_length_c [12.6115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2LiZnBr5]
_chemical_formula_sum '[Na8 Li4 Zn4 Br20]'
_cell_volume [1059.3652]
_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  0.1316  0.3314  1.0
  Na  Na1  4  0.0000  0.1678  0.6735  1.0
  Li  Li2  4  0.0000  0.2049  0.0397  1.0
  Zn  Zn3  4  0.0000  0.4450  0.4231  1.0
  Br  Br4  4  0.0000  0.0471  0.0379  1.0
  Br  Br5  4  0.0000  0.3059  0.6711  1.0
  Br  Br6  4  0.0000  0.3270  0.0035  1.0
  Br  Br7  4  0.0000  0.3345  0.3552  1.0
  Br  Br8  4  0.0000  0.4755  0.7886  1.0
]