data_[Te6Pd2Au2]
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 [P2_1/m]
_cell_length_a [7.1868]
_cell_length_b [4.1971]
_cell_length_c [9.6370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te3PdAu]
_chemical_formula_sum '[Te6 Pd2 Au2]'
_cell_volume [270.4352]
_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  0.1807  0.7500  0.9724  1
  Te  Te1  2  0.2456  0.7500  0.3545  1
  Te  Te2  2  0.3646  0.7500  0.7327  1
  Pd  Pd3  2  0.2292  0.2500  0.1642  1
  Au  Au4  2  0.1112  0.2500  0.6037  1
]