data_Ta3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   96.24
_cell_angle_beta   96.24
_cell_angle_gamma   141.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Pd5
_chemical_formula_sum   'Ta6 Pd10'
_cell_volume   265.43
_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  Ta10  1  0.0  0.0  0.26  1.0
  Ta  Ta11  1  0.0  0.0  0.79  1.0
  Ta  Ta12  1  0.8  0.92  0.0  1.0
  Ta  Ta13  1  0.32  0.2  0.53  1.0
  Ta  Ta14  1  0.8  0.32  0.53  1.0
  Ta  Ta15  1  0.32  0.8  0.0  1.0
  Pd  Pd0  1  0.0  0.12  0.26  1.0
  Pd  Pd1  1  0.12  0.0  0.26  1.0
  Pd  Pd2  1  0.71  0.5  0.0  1.0
  Pd  Pd3  1  0.41  0.63  0.53  1.0
  Pd  Pd4  1  0.83  0.63  0.0  1.0
  Pd  Pd5  1  0.29  0.5  0.53  1.0
  Pd  Pd6  1  0.63  0.41  0.0  1.0
  Pd  Pd7  1  0.5  0.71  0.53  1.0
  Pd  Pd8  1  0.37  0.41  0.53  1.0
  Pd  Pd9  1  0.75  0.71  0.0  1.0

data_Ta3Pd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   83.76
_cell_angle_beta   70.75
_cell_angle_gamma   70.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Pd5
_chemical_formula_sum   'Ta6 Pd10'
_cell_volume   265.43
_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  Ta0  1  0.21  0.79  0.0  1.0
  Ta  Ta1  1  0.67  0.53  0.12  1.0
  Ta  Ta2  1  0.74  0.26  0.0  1.0
  Ta  Ta3  1  0.79  0.53  0.48  1.0
  Ta  Ta4  1  0.8  0.0  0.52  1.0
  Ta  Ta5  1  0.92  0.0  0.88  1.0
  Pd  Pd6  1  0.1  0.53  0.79  1.0
  Pd  Pd7  1  0.18  0.53  0.79  1.0
  Pd  Pd8  1  0.41  0.0  0.21  1.0
  Pd  Pd9  1  0.5  0.0  0.21  1.0
  Pd  Pd10  1  0.63  0.0  0.2  1.0
  Pd  Pd11  1  0.71  0.0  0.04  1.0
  Pd  Pd12  1  0.74  0.26  0.12  1.0
  Pd  Pd13  1  0.86  0.26  0.88  1.0
  Pd  Pd14  1  0.89  0.53  0.96  1.0
  Pd  Pd15  1  0.97  0.53  0.8  1.0

Ta Ta Ta Ta Ta Ta Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd