data_[Li24In4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.0592]
_cell_length_b [16.2606]
_cell_length_c [4.8371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6InPd3]
_chemical_formula_sum '[Li24 In4 Pd12]'
_cell_volume [633.8932]
_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  0.1759  0.2784  0.8194  1.0
  Li  Li1  8  0.1867  0.4541  0.0671  1.0
  Li  Li2  4  0.0000  0.0014  0.2636  1.0
  Li  Li3  4  0.0000  0.3164  0.2782  1.0
  In  In4  4  0.0000  0.1551  0.5060  1.0
  Pd  Pd5  8  0.1740  0.8794  0.5072  1.0
  Pd  Pd6  4  0.0000  0.4135  0.6502  1.0
]