data_[Tl8Ag4Pd4Br20]
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
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6554]
_cell_length_b [19.3420]
_cell_length_c [13.7450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2AgPdBr5]
_chemical_formula_sum '[Tl8 Ag4 Pd4 Br20]'
_cell_volume [1237.6616]
_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  0.1041  0.7084  1.0
  Tl  Tl1  4  0.0000  0.1352  0.3270  1.0
  Ag  Ag2  4  0.0000  0.4177  0.4418  1.0
  Pd  Pd3  4  0.0000  0.2207  0.0464  1.0
  Br  Br4  4  0.0000  0.0919  0.0546  1.0
  Br  Br5  4  0.0000  0.2735  0.6105  1.0
  Br  Br6  4  0.0000  0.3073  0.3174  1.0
  Br  Br7  4  0.0000  0.3456  0.0134  1.0
  Br  Br8  4  0.0000  0.4840  0.8043  1.0
]