data_YTaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaPd2
_chemical_formula_sum   'Y1 Ta1 Pd2'
_cell_volume   77.31
_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  0.11  1.0
  Ta  Ta2  1  0.71  0.71  0.96  1.0
  Pd  Pd0  1  0.71  0.71  0.16  1.0
  Pd  Pd1  1  0.0  0.0  0.74  1.0

data_YTaPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTaPd2
_chemical_formula_sum   'Y2 Ta2 Pd4'
_cell_volume   154.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.11  1.0
  Ta  Ta1  2  0.21  0.5  0.96  1.0
  Pd  Pd2  2  0.0  0.0  0.74  1.0
  Pd  Pd3  2  0.21  0.5  0.16  1.0

Y Ta Pd Pd
Y Ta Pd Pd 0 1 - - - 0 2 - - o 1 2 o o + 1 3 + + o 