data_YSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.63
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Pd
_chemical_formula_sum   'Y1 Si2 Pd1'
_cell_volume   71.39
_cell_formula_units_Z   1
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  Y3  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.52  0.81  0.49  1.0
  Si  Si2  1  0.52  0.81  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.24  1.0

data_YSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.63
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Pd
_chemical_formula_sum   'Y1 Si2 Pd1'
_cell_volume   71.39
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.52  0.81  0.0  1.0
  Si  Si2  1  0.52  0.81  0.49  1.0
  Pd  Pd3  1  0.0  0.0  0.24  1.0

Y Si Si Pd
Y Si Si Pd 0 2 - - o 0 2 o - o 0 3 o o o 1 3 o + o 1 3 + + o 