data_Ta2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.97
_cell_angle_alpha   99.83
_cell_angle_beta   99.83
_cell_angle_gamma   34.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2IrPd
_chemical_formula_sum   'Ta2 Ir1 Pd1'
_cell_volume   65.91
_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
  Ta  Ta2  1  0.66  0.0  0.65  1.0
  Ta  Ta3  1  0.78  0.0  0.24  1.0
  Ir  Ir0  1  0.22  0.0  0.44  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Ta2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.88
_cell_length_c   4.97
_cell_angle_alpha   99.83
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2IrPd
_chemical_formula_sum   'Ta2 Ir1 Pd1'
_cell_volume   65.91
_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
  Ta  Ta0  1  0.0  0.22  0.76  1.0
  Ta  Ta1  1  0.0  0.34  0.35  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.78  0.56  1.0

Ta Ta Ir Pd