data_[Li4Cu2Pd3]
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 [P-1]
_cell_length_a [4.5601]
_cell_length_b [4.6130]
_cell_length_c [6.8021]
_cell_angle_alpha [80.6920]
_cell_angle_beta [77.2699]
_cell_angle_gamma [60.8803]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4Cu2Pd3]
_chemical_formula_sum '[Li4 Cu2 Pd3]'
_cell_volume [121.6802]
_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  2  0.2236  0.9937  0.3363  1.0
  Li  Li1  2  0.3278  0.3455  0.9982  1.0
  Cu  Cu2  2  0.1095  0.3356  0.6633  1.0
  Pd  Pd3  2  0.4456  0.6745  0.6661  1.0
  Pd  Pd4  1  0.0000  0.0000  0.0000  1.0
]