data_[Tl4Te4Pd4]
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 [C2/m]
_cell_length_a [12.9523]
_cell_length_b [4.0843]
_cell_length_c [6.6021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlTePd]
_chemical_formula_sum '[Tl4 Te4 Pd4]'
_cell_volume [348.9924]
_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  0.1434  0.5000  0.3595  1.0
  Te  Te1  4  0.1073  0.0000  0.8472  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  2  0.0000  0.5000  0.0000  1.0
]