data_[Na4Tl8Ge4Br20]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2994]
_cell_length_b [18.7401]
_cell_length_c [15.3746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2GeBr5]
_chemical_formula_sum '[Na4 Tl8 Ge4 Br20]'
_cell_volume [1238.7524]
_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  0.4565  0.4473  1.0
  Tl  Tl1  4  0.0000  0.0875  0.6486  1.0
  Tl  Tl2  4  0.0000  0.1314  0.3032  1.0
  Ge  Ge3  4  0.0000  0.2218  0.0322  1.0
  Br  Br4  4  0.0000  0.0809  0.0624  1.0
  Br  Br5  4  0.0000  0.2647  0.6609  1.0
  Br  Br6  4  0.0000  0.2974  0.4119  1.0
  Br  Br7  4  0.0000  0.3834  0.9853  1.0
  Br  Br8  4  0.0000  0.4997  0.2721  1.0
]