data_Ta2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Pb
_chemical_formula_sum   'Ta4 Pb2'
_cell_volume   124.63
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.91  1.0
  Ta  Ta4  1  0.49  0.44  0.36  1.0
  Ta  Ta5  1  0.0  0.87  0.45  1.0
  Pb  Pb0  1  0.49  0.44  0.45  1.0
  Pb  Pb1  1  0.0  0.87  0.36  1.0

data_Ta2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Pb
_chemical_formula_sum   'Ta4 Pb2'
_cell_volume   124.63
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.91  1.0
  Ta  Ta2  1  0.0  0.87  0.45  1.0
  Ta  Ta3  1  0.49  0.44  0.36  1.0
  Pb  Pb4  1  0.0  0.87  0.36  1.0
  Pb  Pb5  1  0.49  0.44  0.45  1.0

Ta Ta Ta Ta Pb Pb