data_Y2TaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.28
_cell_angle_alpha   90.84
_cell_angle_beta   90.84
_cell_angle_gamma   93.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TaPd
_chemical_formula_sum   'Y2 Ta1 Pd1'
_cell_volume   90.44
_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  0.77  0.91  0.64  1.0
  Y  Y3  1  0.77  0.09  0.64  1.0
  Ta  Ta1  1  0.61  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Y2TaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   93.09
_cell_angle_beta   90.84
_cell_angle_gamma   90.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TaPd
_chemical_formula_sum   'Y2 Ta1 Pd1'
_cell_volume   90.44
_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  0.64  0.77  0.09  1.0
  Y  Y1  1  0.64  0.77  0.91  1.0
  Ta  Ta2  1  0.0  0.61  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Y Y Ta Pd