data_[Ti2Pd2Au8]
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_1/m]
_cell_length_a [4.9807]
_cell_length_b [5.9571]
_cell_length_c [6.9647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiPdAu4]
_chemical_formula_sum '[Ti2 Pd2 Au8]'
_cell_volume [206.6474]
_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  0.3401  0.2500  0.3301  1.0
  Pd  Pd1  2  0.5000  0.0000  0.0000  1.0
  Au  Au2  4  0.1729  0.5030  0.6626  1.0
  Au  Au3  2  0.0155  0.2500  0.0087  1.0
  Au  Au4  2  0.3400  0.7500  0.3278  1.0
]