data_Y2CdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   4.84
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   100.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CdPd
_chemical_formula_sum   'Y2 Cd1 Pd1'
_cell_volume   98.21
_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  Y2  1  0.67  0.42  0.95  1.0
  Y  Y3  1  0.55  0.0  0.93  1.0
  Cd  Cd0  1  0.76  0.42  0.48  1.0
  Pd  Pd1  1  0.79  0.0  0.32  1.0

data_Y2CdPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.84
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   100.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CdPd
_chemical_formula_sum   'Y2 Cd1 Pd1'
_cell_volume   98.21
_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  0.55  0.0  0.93  1.0
  Y  Y1  1  0.67  0.42  0.95  1.0
  Cd  Cd2  1  0.76  0.42  0.48  1.0
  Pd  Pd3  1  0.79  0.0  0.32  1.0

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