data_[In2Sn4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0480]
_cell_length_b [7.1464]
_cell_length_c [7.1654]
_cell_angle_alpha [112.2144]
_cell_angle_beta [103.7435]
_cell_angle_gamma [103.4645]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In(SnPd2)2]
_chemical_formula_sum '[In2 Sn4 Pd8]'
_cell_volume [259.9599]
_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
[
  In  In0  1  0.0024  0.9260  0.9713  1.0
  In  In1  1  0.3061  0.7343  0.5340  1.0
  Sn  Sn2  1  0.0656  0.4569  0.7809  1.0
  Sn  Sn3  1  0.5320  0.4059  0.6861  1.0
  Sn  Sn4  1  0.5905  0.2425  0.1519  1.0
  Sn  Sn5  1  0.7874  0.9276  0.3845  1.0
  Pd  Pd6  1  0.0670  0.2864  0.3515  1.0
  Pd  Pd7  1  0.2105  0.1034  0.7409  1.0
  Pd  Pd8  1  0.3500  0.0017  0.3357  1.0
  Pd  Pd9  1  0.3776  0.5306  0.1611  1.0
  Pd  Pd10  1  0.5146  0.8062  0.9620  1.0
  Pd  Pd11  1  0.7258  0.1117  0.7869  1.0
  Pd  Pd12  1  0.8250  0.6250  0.5329  1.0
  Pd  Pd13  1  0.8955  0.5917  0.1203  1.0
]