data_TaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   58.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPd2
_chemical_formula_sum   'Ta2 Pd4'
_cell_volume   97.09
_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  Ta4  1  0.25  0.24  0.19  1.0
  Ta  Ta5  1  0.25  0.76  0.58  1.0
  Pd  Pd0  1  0.63  0.87  0.19  1.0
  Pd  Pd1  1  0.87  0.13  0.58  1.0
  Pd  Pd2  1  0.87  0.87  0.19  1.0
  Pd  Pd3  1  0.63  0.13  0.58  1.0

data_TaPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.78
_cell_length_b   4.79
_cell_length_c   4.87
_cell_angle_alpha   119.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaPd2
_chemical_formula_sum   'Ta2 Pd4'
_cell_volume   97.09
_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  0.31  0.24  0.74  1.0
  Pd  Pd1  2  0.31  0.87  0.75  1.0
  Pd  Pd2  2  0.31  0.87  0.99  1.0

Ta Ta Pd Pd Pd Pd