data_[Ti2Pd8Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.9589]
_cell_length_b [4.9209]
_cell_length_c [5.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TiPd4Au]
_chemical_formula_sum '[Ti2 Pd8 Au2]'
_cell_volume [190.2356]
_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
[
  Ti  Ti0  2  0.0000  0.1137  0.7500  1
  Pd  Pd1  4  0.1579  0.3947  0.4201  1
  Pd  Pd2  4  0.3176  0.0915  0.0851  1
  Au  Au3  2  0.5000  0.4049  0.7500  1
]