data_[Tl4Ag24Pd12]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.8859]
_cell_length_b [17.8315]
_cell_length_c [5.2537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl(Ag2Pd)3]
_chemical_formula_sum '[Tl4 Ag24 Pd12]'
_cell_volume [738.7608]
_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  0.1548  0.5069  1
  Ag  Ag1  8  0.1808  0.4656  0.9126  1
  Ag  Ag2  8  0.1849  0.2675  0.1963  1
  Ag  Ag3  4  0.0000  0.0065  0.7124  1
  Ag  Ag4  4  0.0000  0.3260  0.7654  1
  Pd  Pd5  8  0.1789  0.1191  0.0036  1
  Pd  Pd6  4  0.0000  0.3995  0.3050  1
]