data_[Y2Si6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1388]
_cell_length_b [4.0155]
_cell_length_c [11.0599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YSi3Pd]
_chemical_formula_sum '[Y2 Si6 Pd2]'
_cell_volume [180.5936]
_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
[
  Y  Y0  2  0.3288  0.5000  0.6589  1.0
  Si  Si1  2  0.0367  0.5000  0.8966  1.0
  Si  Si2  2  0.2217  0.0000  0.4434  1.0
  Si  Si3  2  0.4324  0.0000  0.8922  1.0
  Pd  Pd4  2  0.1366  0.0000  0.2235  1.0
]