data_YFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.13
_cell_angle_alpha   111.28
_cell_angle_beta   111.28
_cell_angle_gamma   40.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Pd
_chemical_formula_sum   'Y1 Fe2 Pd1'
_cell_volume   68.04
_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
  Fe  Fe0  1  0.24  0.0  0.75  1.0
  Fe  Fe1  1  0.99  0.0  0.06  1.0
  Pd  Pd2  1  0.11  0.0  0.91  1.0

data_YFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.13
_cell_length_c   5.24
_cell_angle_alpha   111.28
_cell_angle_beta   110.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Pd
_chemical_formula_sum   'Y1 Fe2 Pd1'
_cell_volume   68.04
_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
  Fe  Fe1  1  0.0  0.06  0.99  1.0
  Fe  Fe2  1  0.0  0.75  0.24  1.0
  Pd  Pd3  1  0.0  0.91  0.11  1.0

Y Fe Fe Pd
Y Fe Fe Pd 0 2 - o o 0 3 o o - 1 3 o o o 