data_[Tl8Ag4Ge4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  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 [4.3183]
_cell_length_b [19.5391]
_cell_length_c [14.3470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2AgGeBr5]
_chemical_formula_sum '[Tl8 Ag4 Ge4 Br20]'
_cell_volume [1210.5395]
_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
[
  Tl  Tl0  4  0.0000  0.0928  0.6713  1.0
  Tl  Tl1  4  0.0000  0.1295  0.2915  1.0
  Ag  Ag2  4  0.0000  0.4377  0.4527  1.0
  Ge  Ge3  4  0.0000  0.2210  0.0193  1.0
  Br  Br4  4  0.0000  0.0568  0.0650  1.0
  Br  Br5  4  0.0000  0.2723  0.6546  1.0
  Br  Br6  4  0.0000  0.2987  0.3876  1.0
  Br  Br7  4  0.0000  0.3526  0.9934  1.0
  Br  Br8  4  0.0000  0.4989  0.7886  1.0
]