data_YAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.76
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg2Pd
_chemical_formula_sum   'Y1 Ag2 Pd1'
_cell_volume   79.79
_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
  Ag  Ag0  1  0.73  0.38  0.41  1.0
  Ag  Ag1  1  0.01  0.38  0.87  1.0
  Pd  Pd2  1  0.87  0.0  0.64  1.0

data_YAg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.76
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg2Pd
_chemical_formula_sum   'Y1 Ag2 Pd1'
_cell_volume   79.79
_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
  Ag  Ag1  1  0.01  0.38  0.87  1.0
  Ag  Ag2  1  0.73  0.38  0.41  1.0
  Pd  Pd3  1  0.87  0.0  0.64  1.0

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