data_[Te2Pd8Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Imm2]
_cell_length_a [5.6127]
_cell_length_b [9.3716]
_cell_length_c [5.5157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TePd4Au3]
_chemical_formula_sum '[Te2 Pd8 Au6]'
_cell_volume [290.1282]
_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
[
  Te  Te0  2  0.0000  0.5000  0.2505  1
  Pd  Pd1  4  0.0000  0.2392  0.0989  1
  Pd  Pd2  4  0.2431  0.0000  0.3395  1
  Au  Au3  4  0.0000  0.2676  0.5985  1
  Au  Au4  2  0.0000  0.0000  0.8268  1
]