data_[Si2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0287]
_cell_length_b [4.2733]
_cell_length_c [5.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiPd5]
_chemical_formula_sum '[Si2 Pd10]'
_cell_volume [180.8841]
_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
[
  Si  Si0  2  0.4169  0.5000  0.1512  1.0
  Pd  Pd1  2  0.0503  0.5000  0.4497  1.0
  Pd  Pd2  2  0.1196  0.5000  0.9979  1.0
  Pd  Pd3  2  0.2171  0.0000  0.3436  1.0
  Pd  Pd4  2  0.2795  0.0000  0.8824  1.0
  Pd  Pd5  2  0.4161  0.5000  0.6752  1.0
]