data_YSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   141.69
_cell_angle_beta   138.4
_cell_angle_gamma   57.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Pd
_chemical_formula_sum   'Y1 Si2 Pd1'
_cell_volume   75.4
_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  0.67  1.0
  Si  Si1  1  0.0  0.0  0.76  1.0
  Si  Si2  1  0.87  0.0  0.34  1.0
  Pd  Pd0  1  0.0  0.02  0.2  1.0

data_YSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.05
_cell_length_c   5.7
_cell_angle_alpha   110.8
_cell_angle_beta   109.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Pd
_chemical_formula_sum   'Y1 Si2 Pd1'
_cell_volume   75.4
_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  0.33  0.33  0.33  1.0
  Si  Si1  1  0.24  0.24  0.24  1.0
  Si  Si2  1  0.53  0.66  0.53  1.0
  Pd  Pd3  1  0.8  0.82  0.82  1.0

Y Si Si Pd