data_[Li4Pd4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0036]
_cell_length_b [2.8173]
_cell_length_c [6.9233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPdAu]
_chemical_formula_sum '[Li4 Pd4 Au4]'
_cell_volume [185.4053]
_cell_formula_units_Z [4]
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  4  0.0335  0.5000  0.2844  1.0
  Pd  Pd1  4  0.1388  0.0000  0.0225  1.0
  Au  Au2  4  0.1788  0.0000  0.6301  1.0
]