data_[Li4Cd4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5673]
_cell_length_b [12.8098]
_cell_length_c [5.6676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiCdPd3]
_chemical_formula_sum '[Li4 Cd4 Pd12]'
_cell_volume [331.5872]
_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  0.0000  0.3724  0.2500  1.0
  Cd  Cd1  4  0.0000  0.3810  0.7500  1.0
  Pd  Pd2  8  0.0000  0.1865  0.5013  1.0
  Pd  Pd3  4  0.0000  0.0029  0.7500  1.0
]