data_YSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.41
_cell_angle_alpha   111.02
_cell_angle_beta   111.02
_cell_angle_gamma   56.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Pd
_chemical_formula_sum   'Y1 Si2 Pd1'
_cell_volume   73.89
_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  0.75  0.0  0.48  1.0
  Si  Si1  1  0.27  0.0  0.75  1.0
  Si  Si2  1  0.1  0.0  0.76  1.0
  Pd  Pd0  1  0.13  0.0  0.37  1.0

data_YSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.25
_cell_length_c   5.41
_cell_angle_alpha   111.02
_cell_angle_beta   90.0
_cell_angle_gamma   118.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Pd
_chemical_formula_sum   'Y1 Si2 Pd1'
_cell_volume   73.89
_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  0.25  0.52  1.0
  Si  Si1  1  0.0  0.73  0.25  1.0
  Si  Si2  1  0.0  0.9  0.24  1.0
  Pd  Pd3  1  0.0  0.87  0.63  1.0

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