data_[Tl4Cu4Te12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4498]
_cell_length_b [4.3026]
_cell_length_c [10.8308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlCuTe3Pd]
_chemical_formula_sum '[Tl4 Cu4 Te12 Pd4]'
_cell_volume [626.7661]
_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  0.1357  0.2500  0.4812  1
  Cu  Cu1  4  0.2235  0.7500  0.2935  1
  Te  Te2  4  0.0325  0.7500  0.2773  1
  Te  Te3  4  0.1216  0.2500  0.9752  1
  Te  Te4  4  0.2046  0.7500  0.6978  1
  Pd  Pd5  4  0.0391  0.7500  0.8512  1
]