data_Ta2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   134.12
_cell_angle_beta   134.12
_cell_angle_gamma   66.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2IrPd
_chemical_formula_sum   'Ta2 Ir1 Pd1'
_cell_volume   65.7
_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  0.97  0.0  0.11  1.0
  Ta  Ta3  1  0.0  0.0  0.22  1.0
  Ir  Ir0  1  0.0  0.97  0.11  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   3.94
_cell_length_b   3.94
_cell_length_c   5.06
_cell_angle_alpha   112.94
_cell_angle_beta   112.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2IrPd
_chemical_formula_sum   'Ta2 Ir1 Pd1'
_cell_volume   65.7
_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  0.11  0.14  0.14  1.0
  Ta  Ta1  1  0.22  0.22  0.22  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.14  0.11  0.14  1.0

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