data_[Tl2Te4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5410]
_cell_length_b [13.2202]
_cell_length_c [4.7476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl(TePd4)2]
_chemical_formula_sum '[Tl2 Te4 Pd16]'
_cell_volume [393.7553]
_cell_formula_units_Z [2]
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  2  0.0898  0.0000  0.2125  1
  Te  Te1  4  0.0477  0.3400  0.1487  1
  Pd  Pd2  4  0.1192  0.1223  0.7336  1
  Pd  Pd3  4  0.3133  0.6691  0.9261  1
  Pd  Pd4  4  0.3431  0.1982  0.4492  1
  Pd  Pd5  2  0.0048  0.5000  0.7690  1
  Pd  Pd6  2  0.2590  0.5000  0.5060  1
]