data_YCuPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   134.48
_cell_angle_beta   128.07
_cell_angle_gamma   71.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuPd2
_chemical_formula_sum   'Y1 Cu1 Pd2'
_cell_volume   69.71
_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  0.08  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.94  0.0  0.95  1.0
  Pd  Pd2  1  0.0  0.2  0.13  1.0

data_YCuPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.4
_cell_length_c   5.02
_cell_angle_alpha   115.97
_cell_angle_beta   112.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuPd2
_chemical_formula_sum   'Y1 Cu1 Pd2'
_cell_volume   69.71
_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  0.92  0.92  0.92  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.87  0.07  0.07  1.0
  Pd  Pd3  1  0.99  0.05  0.99  1.0

Y Cu Pd Pd