data_YTa2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   147.22
_cell_angle_beta   134.51
_cell_angle_gamma   57.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Pd
_chemical_formula_sum   'Y1 Ta2 Pd1'
_cell_volume   79.97
_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  0.0  1.0
  Ta  Ta1  1  0.67  0.0  0.76  1.0
  Ta  Ta2  1  0.0  0.29  0.45  1.0
  Pd  Pd0  1  0.0  0.0  0.21  1.0

data_YTa2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.59
_cell_length_c   5.93
_cell_angle_alpha   112.74
_cell_angle_beta   106.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Pd
_chemical_formula_sum   'Y1 Ta2 Pd1'
_cell_volume   79.97
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.55  0.84  0.84  1.0
  Ta  Ta2  1  0.91  0.24  0.91  1.0
  Pd  Pd3  1  0.79  0.79  0.79  1.0

Y Ta Ta Pd