data_[Te16Pd2Au4]
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 [C2/m]
_cell_length_a [10.8120]
_cell_length_b [8.4676]
_cell_length_c [7.1717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te8PdAu2]
_chemical_formula_sum '[Te16 Pd2 Au4]'
_cell_volume [656.0498]
_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  8  0.1458  0.2718  0.1291  1
  Te  Te1  4  0.0550  0.5000  0.6773  1
  Te  Te2  4  0.1547  0.0000  0.7139  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.1811  0.0000  0.3348  1
]