data_[Te1Pd6Au1]
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 [P-1]
_cell_length_a [4.9827]
_cell_length_b [5.2701]
_cell_length_c [5.3606]
_cell_angle_alpha [89.7225]
_cell_angle_beta [79.8267]
_cell_angle_gamma [88.0503]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TePd6Au]
_chemical_formula_sum '[Te1 Pd6 Au1]'
_cell_volume [138.4739]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd1  2  0.0069  0.5089  0.2440  1.0
  Pd  Pd2  2  0.2541  0.0801  0.4396  1.0
  Pd  Pd3  2  0.4873  0.2526  0.9342  1.0
  Au  Au4  1  0.0000  0.0000  0.0000  1.0
]