data_[Te18Pd9Au3]
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 [R3]
_cell_length_a [7.1249]
_cell_length_b [7.1249]
_cell_length_c [17.8582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Te6Pd3Au]
_chemical_formula_sum '[Te18 Pd9 Au3]'
_cell_volume [785.1035]
_cell_formula_units_Z [3]
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  9  0.0009  0.6925  0.2517  1.0
  Te  Te1  9  0.0443  0.3637  0.4161  1.0
  Pd  Pd2  3  0.0000  0.0000  0.3480  1.0
  Pd  Pd3  3  0.0000  0.0000  0.6511  1.0
  Pd  Pd4  3  0.0000  0.0000  0.8524  1.0
  Au  Au5  3  0.0000  0.0000  0.1451  1.0
]