data_[Te12Pd10Au2]
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 [6.9714]
_cell_length_b [11.5772]
_cell_length_c [6.9459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te6Pd5Au]
_chemical_formula_sum '[Te12 Pd10 Au2]'
_cell_volume [532.4720]
_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  0.2401  0.3265  0.7420  1.0
  Te  Te1  4  0.2372  0.5000  0.2539  1.0
  Pd  Pd2  4  0.0000  0.1597  0.5000  1.0
  Pd  Pd3  4  0.0000  0.3315  0.0000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.5000  1.0
  Au  Au5  2  0.0000  0.0000  0.0000  1.0
]