data_[Li4Cu2Pd16]
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 [C2/m]
_cell_length_a [14.0256]
_cell_length_b [3.8779]
_cell_length_c [6.1695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2CuPd8]
_chemical_formula_sum '[Li4 Cu2 Pd16]'
_cell_volume [323.5423]
_cell_formula_units_Z [2]
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  0.2269  0.0000  0.6424  1
  Cu  Cu1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.0462  0.0000  0.7298  1
  Pd  Pd3  4  0.0939  0.5000  0.4502  1
  Pd  Pd4  4  0.1376  0.0000  0.1859  1
  Pd  Pd5  4  0.1812  0.5000  0.9088  1
]