data_Ta2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Pd
_chemical_formula_sum   'Ta4 Pd2'
_cell_volume   103.27
_cell_formula_units_Z   2
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  0.28  0.91  0.84  1.0
  Ta  Ta3  1  0.28  0.09  0.53  1.0
  Ta  Ta4  1  0.28  0.34  0.84  1.0
  Ta  Ta5  1  0.28  0.66  0.53  1.0
  Pd  Pd0  1  0.28  0.44  0.84  1.0
  Pd  Pd1  1  0.28  0.56  0.53  1.0

data_Ta2Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.37
_cell_length_b   4.57
_cell_length_c   7.09
_cell_angle_alpha   108.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta2Pd
_chemical_formula_sum   'Ta4 Pd2'
_cell_volume   103.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.34  0.34  1.0
  Ta  Ta1  2  0.34  0.91  0.91  1.0
  Pd  Pd2  2  0.34  0.44  0.44  1.0

Ta Ta Ta Ta Pd Pd