data_TaZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.84
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnPb2
_chemical_formula_sum   'Ta1 Zn1 Pb2'
_cell_volume   88.63
_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  0.1  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.86  0.92  0.56  1.0
  Pb  Pb1  1  0.86  0.92  0.64  1.0

data_TaZnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.84
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnPb2
_chemical_formula_sum   'Ta1 Zn1 Pb2'
_cell_volume   88.63
_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  0.1  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.86  0.92  0.56  1.0
  Pb  Pb3  1  0.86  0.92  0.64  1.0

Ta Zn Pb Pb
Ta Zn Pb Pb 0 1 o o o 2 3 o o o 