data_YTi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.24
_cell_angle_alpha   105.68
_cell_angle_beta   105.68
_cell_angle_gamma   34.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Pd
_chemical_formula_sum   'Y1 Ti2 Pd1'
_cell_volume   79.92
_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  0.18  0.0  0.4  1.0
  Ti  Ti1  1  0.66  0.0  0.96  1.0
  Ti  Ti2  1  0.52  0.0  0.12  1.0
  Pd  Pd0  1  0.01  0.0  0.07  1.0

data_YTi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.24
_cell_length_c   5.27
_cell_angle_alpha   105.68
_cell_angle_beta   107.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Pd
_chemical_formula_sum   'Y1 Ti2 Pd1'
_cell_volume   79.92
_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  0.0  0.4  0.18  1.0
  Ti  Ti1  1  0.0  0.12  0.52  1.0
  Ti  Ti2  1  0.0  0.96  0.66  1.0
  Pd  Pd3  1  0.0  0.07  0.01  1.0

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