data_[In4Si4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9301]
_cell_length_b [3.4405]
_cell_length_c [16.1851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [InSiPd4]
_chemical_formula_sum '[In4 Si4 Pd16]'
_cell_volume [385.9009]
_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  4  0.2450  0.7500  0.3097  1
  Si  Si1  4  0.2480  0.2500  0.0551  1
  Pd  Pd2  4  0.0040  0.2500  0.9348  1
  Pd  Pd3  4  0.0604  0.2500  0.2030  1
  Pd  Pd4  4  0.1275  0.2500  0.6458  1
  Pd  Pd5  4  0.1347  0.2500  0.4550  1
]