data_Y2ZrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   4.69
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrPd
_chemical_formula_sum   'Y2 Zr1 Pd1'
_cell_volume   100.55
_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  Y1  1  0.46  0.0  0.56  1.0
  Y  Y2  1  0.11  0.35  0.77  1.0
  Zr  Zr3  1  0.33  0.0  0.95  1.0
  Pd  Pd0  1  0.19  0.35  0.43  1.0

data_Y2ZrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.69
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrPd
_chemical_formula_sum   'Y2 Zr1 Pd1'
_cell_volume   100.55
_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  0.11  0.35  0.77  1.0
  Y  Y1  1  0.46  0.0  0.56  1.0
  Zr  Zr2  1  0.33  0.0  0.95  1.0
  Pd  Pd3  1  0.19  0.35  0.43  1.0

Y Y Zr Pd