data_Ta2Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73
_cell_length_b   9.73
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Pd3
_chemical_formula_sum   'Ta12 Pd18'
_cell_volume   492.7
_cell_formula_units_Z   6
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  Ta18  1  0.74  0.99  0.6  1.0
  Ta  Ta19  1  0.99  0.74  0.6  1.0
  Ta  Ta20  1  0.87  0.87  0.0  1.0
  Ta  Ta21  1  0.85  0.85  0.0  1.0
  Ta  Ta22  1  0.93  0.93  0.9  1.0
  Ta  Ta23  1  0.8  0.8  0.9  1.0
  Ta  Ta24  1  0.66  0.06  0.29  1.0
  Ta  Ta25  1  0.06  0.66  0.29  1.0
  Ta  Ta26  1  0.66  0.06  0.91  1.0
  Ta  Ta27  1  0.06  0.66  0.91  1.0
  Ta  Ta28  1  0.93  0.93  0.31  1.0
  Ta  Ta29  1  0.8  0.8  0.31  1.0
  Pd  Pd0  1  0.86  0.86  0.6  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.22  0.35  0.6  1.0
  Pd  Pd3  1  0.5  0.38  0.6  1.0
  Pd  Pd4  1  0.51  0.36  0.0  1.0
  Pd  Pd5  1  0.21  0.37  0.0  1.0
  Pd  Pd6  1  0.37  0.21  0.0  1.0
  Pd  Pd7  1  0.36  0.51  0.0  1.0
  Pd  Pd8  1  0.35  0.22  0.6  1.0
  Pd  Pd9  1  0.38  0.5  0.6  1.0
  Pd  Pd10  1  0.49  0.43  0.6  1.0
  Pd  Pd11  1  0.24  0.29  0.6  1.0
  Pd  Pd12  1  0.16  0.62  0.0  1.0
  Pd  Pd13  1  0.57  0.1  0.0  1.0
  Pd  Pd14  1  0.1  0.57  0.0  1.0
  Pd  Pd15  1  0.62  0.16  0.0  1.0
  Pd  Pd16  1  0.43  0.49  0.6  1.0
  Pd  Pd17  1  0.29  0.24  0.6  1.0

data_Ta2Pd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   13.76
_cell_length_b   13.76
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2Pd3
_chemical_formula_sum   'Ta24 Pd36'
_cell_volume   985.41
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.36  0.37  0.6  1.0
  Ta  Ta1  4  0.36  0.3  0.29  1.0
  Ta  Ta2  4  0.36  0.3  0.91  1.0
  Ta  Ta3  2  0.3  0.5  0.31  1.0
  Ta  Ta4  2  0.3  0.5  0.9  1.0
  Ta  Ta5  2  0.35  0.5  0.0  1.0
  Ta  Ta6  2  0.37  0.5  0.0  1.0
  Ta  Ta7  2  0.43  0.5  0.31  1.0
  Ta  Ta8  2  0.43  0.5  0.9  1.0
  Pd  Pd9  4  0.27  0.03  0.6  1.0
  Pd  Pd10  4  0.29  0.06  0.6  1.0
  Pd  Pd11  4  0.29  0.08  0.0  1.0
  Pd  Pd12  4  0.34  0.23  0.0  1.0
  Pd  Pd13  4  0.39  0.23  0.0  1.0
  Pd  Pd14  4  0.44  0.08  0.0  1.0
  Pd  Pd15  4  0.44  0.06  0.6  1.0
  Pd  Pd16  4  0.46  0.03  0.6  1.0
  Pd  Pd17  2  0.0  0.0  0.0  1.0
  Pd  Pd18  2  0.36  0.5  0.6  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd 0 6 o + o 0 8 o + o 0 12 o o o 1 12 o o o 1 7 + o o 1 9 + o o 2 3 o o o 2 4 o o - 2 10 o o o 2 11 o o o 2 12 o o - 3 5 o o - 3 10 o o o 3 11 o o o 3 12 o o - 4 12 o o o 4 13 + + + 5 12 o o o 6 27 o o o 6 25 o o o 6 8 o o - 7 26 o o o 7 24 o o o 7 9 o o - 8 27 o o + 8 25 o o + 9 26 o o + 9 24 o o + 10 12 o o o 10 11 o o o 10 13 + + o 11 12 o o o 14 23 o o o 14 17 o o + 15 22 o o o 15 16 o o + 16 18 o o o 16 22 o o - 16 19 o o o 16 27 o o o 17 26 o o o 17 23 o o - 17 18 o o o 17 19 o o o 18 29 o o - 18 20 o o - 18 25 o o o 19 24 o o o 19 28 o o - 19 21 o o - 20 29 o o o 21 28 o o o 24 26 o o o 25 27 o o o 