data_[Tl4Te12Pd4Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.1689]
_cell_length_b [4.3646]
_cell_length_c [11.2879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlTe3PdAu]
_chemical_formula_sum '[Tl4 Te12 Pd4 Au4]'
_cell_volume [648.7960]
_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  0.1266  0.2500  0.5289  1
  Te  Te1  4  0.0167  0.7500  0.7339  1
  Te  Te2  4  0.1240  0.2500  0.0208  1
  Te  Te3  4  0.2034  0.7500  0.3254  1
  Pd  Pd4  4  0.0485  0.7500  0.1448  1
  Au  Au5  4  0.2196  0.7500  0.6987  1
]