data_[Cs8Tl4Ge4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [5.4837]
_cell_length_b [19.6005]
_cell_length_c [14.1771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TlGeBr5]
_chemical_formula_sum '[Cs8 Tl4 Ge4 Br20]'
_cell_volume [1523.8028]
_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
[
  Cs  Cs0  4  0.0000  0.1066  0.6925  1.0
  Cs  Cs1  4  0.0000  0.1471  0.3370  1.0
  Tl  Tl2  4  0.0000  0.2079  0.0398  1.0
  Ge  Ge3  4  0.0000  0.4681  0.4408  1.0
  Br  Br4  4  0.0000  0.0272  0.9728  1.0
  Br  Br5  4  0.0000  0.2897  0.6726  1.0
  Br  Br6  4  0.0000  0.3411  0.3789  1.0
  Br  Br7  4  0.0000  0.3691  0.0143  1.0
  Br  Br8  4  0.0000  0.4833  0.7752  1.0
]