data_[Li1Cu5Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0233]
_cell_length_b [3.0233]
_cell_length_c [14.6927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiCu5Pd4]
_chemical_formula_sum '[Li1 Cu5 Pd4]'
_cell_volume [134.2959]
_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  0.0000  1.0
  Cu  Cu1  2  0.5000  0.5000  0.0923  1.0
  Cu  Cu2  2  0.5000  0.5000  0.2956  1.0
  Cu  Cu3  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.1924  1.0
  Pd  Pd5  2  0.0000  0.0000  0.3976  1.0
]