data_TaNb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.47
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Pb
_chemical_formula_sum   'Ta1 Nb2 Pb1'
_cell_volume   89.34
_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  Ta3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.58  0.23  0.58  1.0
  Nb  Nb1  1  0.58  0.23  0.74  1.0
  Pb  Pb2  1  0.0  0.0  0.16  1.0

data_TaNb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.47
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Pb
_chemical_formula_sum   'Ta1 Nb2 Pb1'
_cell_volume   89.34
_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  Ta0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.58  0.23  0.58  1.0
  Nb  Nb2  1  0.58  0.23  0.74  1.0
  Pb  Pb3  1  0.0  0.0  0.16  1.0

Ta Nb Nb Pb
Ta Nb Nb Pb 0 3 o o o 1 2 o o o 