data_[Na8Tl4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5598]
_cell_length_b [18.9163]
_cell_length_c [15.2488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2TlSnBr5]
_chemical_formula_sum '[Na8 Tl4 Sn4 Br20]'
_cell_volume [1315.2750]
_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  0.1348  0.7121  1.0
  Na  Na1  4  0.0000  0.1771  0.2355  1.0
  Tl  Tl2  4  0.0000  0.2493  0.9727  1.0
  Sn  Sn3  4  0.0000  0.4883  0.4631  1.0
  Br  Br4  4  0.0000  0.0743  0.0520  1.0
  Br  Br5  4  0.0000  0.2692  0.6280  1.0
  Br  Br6  4  0.0000  0.3306  0.3327  1.0
  Br  Br7  4  0.0000  0.3931  0.8336  1.0
  Br  Br8  4  0.0000  0.4123  0.0943  1.0
]