data_[Li1Ti1Pd1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P4mm]
_cell_length_a [3.0507]
_cell_length_b [3.0507]
_cell_length_c [6.6823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LiTiPdAu]
_chemical_formula_sum '[Li1 Ti1 Pd1 Au1]'
_cell_volume [62.1915]
_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
[
  Li  Li0  1  0.0000  0.0000  0.3624  1.0
  Ti  Ti1  1  0.0000  0.0000  0.8442  1.0
  Pd  Pd2  1  0.5000  0.5000  0.5986  1.0
  Au  Au3  1  0.5000  0.5000  0.1227  1.0
]