data_TaFePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFePb2
_chemical_formula_sum   'Ta1 Fe1 Pb2'
_cell_volume   79.54
_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  0.06  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.97  0.0  0.79  1.0
  Pb  Pb2  1  0.97  0.0  0.33  1.0

data_TaFePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFePb2
_chemical_formula_sum   'Ta1 Fe1 Pb2'
_cell_volume   79.54
_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  0.06  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.97  0.0  0.33  1.0
  Pb  Pb3  1  0.97  0.0  0.79  1.0

Ta Fe Pb Pb
Ta Fe Pb Pb 0 1 o o o 0 3 - o o 1 2 - o - 1 3 - o o 