data_[In20Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1498]
_cell_length_b [10.1062]
_cell_length_c [7.5597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.2946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In5Pd]
_chemical_formula_sum '[In20 Pd4]'
_cell_volume [582.6145]
_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
[
  In  In0  8  0.1415  0.3481  0.2840  1.0
  In  In1  4  0.0073  0.0000  0.7162  1.0
  In  In2  4  0.2046  0.5000  0.7138  1.0
  In  In3  4  0.2500  0.2500  0.0000  1.0
  Pd  Pd4  4  0.0000  0.2496  0.5000  1.0
]