data_[Ti2Pd10Au4]
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 [Pbam]
_cell_length_a [5.6456]
_cell_length_b [11.2150]
_cell_length_c [4.0380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [TiPd5Au2]
_chemical_formula_sum '[Ti2 Pd10 Au4]'
_cell_volume [255.6643]
_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  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0103  0.7405  0.0000  1.0
  Pd  Pd2  4  0.2339  0.3822  0.5000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.2353  0.1279  0.5000  1.0
]