data_[Li24Ge4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.6152]
_cell_length_b [14.3465]
_cell_length_c [4.8935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6GePd3]
_chemical_formula_sum '[Li24 Ge4 Pd12]'
_cell_volume [604.8294]
_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  8  0.1563  0.4600  0.9551  1.0
  Li  Li1  8  0.2476  0.2021  0.6343  1.0
  Li  Li2  4  0.0000  0.0506  0.6334  1.0
  Li  Li3  4  0.0000  0.2835  0.8343  1.0
  Ge  Ge4  4  0.0000  0.2093  0.3343  1.0
  Pd  Pd5  8  0.1801  0.1143  0.0690  1.0
  Pd  Pd6  4  0.0000  0.3799  0.3959  1.0
]