data_[Ti1Pd7Au3]
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 [P3m1]
_cell_length_a [5.5988]
_cell_length_b [5.5988]
_cell_length_c [6.8853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TiPd7Au3]
_chemical_formula_sum '[Ti1 Pd7 Au3]'
_cell_volume [186.9132]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5813  1
  Pd  Pd1  3  0.3327  0.1663  0.8762  1
  Pd  Pd2  3  0.5016  0.0032  0.5473  1
  Pd  Pd3  1  0.3333  0.6667  0.8779  1
  Au  Au4  3  0.1654  0.3309  0.2183  1
]