data_[Tl4Pd4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2605]
_cell_length_b [13.0670]
_cell_length_c [7.0192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlPdBr4]
_chemical_formula_sum '[Tl4 Pd4 Br16]'
_cell_volume [907.3370]
_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  0.2085  0.7500  1.0
  Pd  Pd1  4  0.0000  0.4304  0.2500  1.0
  Br  Br2  8  0.1448  0.4348  0.6500  1.0
  Br  Br3  8  0.1548  0.2932  0.1915  1.0
]