data_[Li16In4Pd2]
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 [Cm]
_cell_length_a [19.3936]
_cell_length_b [3.0371]
_cell_length_c [7.3701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li8In2Pd]
_chemical_formula_sum '[Li16 In4 Pd2]'
_cell_volume [402.2255]
_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  2  0.0083  0.5000  0.6712  1
  Li  Li1  2  0.0764  0.0000  0.4058  1
  Li  Li2  2  0.1454  0.0000  0.8486  1
  Li  Li3  2  0.1485  0.5000  0.1920  1
  Li  Li4  2  0.2855  0.0000  0.3955  1
  Li  Li5  2  0.3028  0.0000  1.0000  1
  Li  Li6  2  0.3885  0.5000  0.7462  1
  Li  Li7  2  0.4637  0.0000  0.1123  1
  In  In8  2  0.2193  0.5000  0.6297  1
  In  In9  2  0.4055  0.5000  0.3502  1
  Pd  Pd10  2  0.0390  0.0000  0.9790  1
]