data_Ta2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82
_cell_length_b   9.82
_cell_length_c   9.82
_cell_angle_alpha   17.79
_cell_angle_beta   17.79
_cell_angle_gamma   17.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdPb
_chemical_formula_sum   'Ta2 Pd1 Pb1'
_cell_volume   77.15
_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  0.0  0.0  0.56  1.0
  Ta  Ta3  1  0.0  0.0  0.43  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.49  1.0

data_Ta2PdPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   100.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2PdPb
_chemical_formula_sum   'Ta4 Pd2 Pb2'
_cell_volume   154.29
_cell_formula_units_Z   2
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  2  0.0  0.0  0.57  1.0
  Ta  Ta1  2  0.0  0.0  0.44  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.51  1.0

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