data_[Na4Zn4In8Br20]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1841]
_cell_length_b [20.0336]
_cell_length_c [14.3287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaZnIn2Br5]
_chemical_formula_sum '[Na4 Zn4 In8 Br20]'
_cell_volume [1201.0575]
_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  0.1997  0.0343  1.0
  Zn  Zn1  4  0.0000  0.4418  0.4166  1.0
  In  In2  4  0.0000  0.1362  0.3307  1.0
  In  In3  4  0.0000  0.1385  0.6729  1.0
  Br  Br4  4  0.0000  0.0383  0.0138  1.0
  Br  Br5  4  0.0000  0.2948  0.6779  1.0
  Br  Br6  4  0.0000  0.3224  0.3859  1.0
  Br  Br7  4  0.0000  0.3457  0.0129  1.0
  Br  Br8  4  0.0000  0.4913  0.7790  1.0
]