data_ZrTa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   5.06
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   95.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Pb
_chemical_formula_sum   'Zr1 Ta2 Pb1'
_cell_volume   84.71
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.44  0.53  0.22  1.0
  Ta  Ta2  1  0.13  0.53  0.21  1.0
  Pb  Pb0  1  0.28  0.0  0.72  1.0

data_ZrTa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.06
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   95.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Pb
_chemical_formula_sum   'Zr1 Ta2 Pb1'
_cell_volume   84.71
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.13  0.53  0.21  1.0
  Ta  Ta2  1  0.44  0.53  0.22  1.0
  Pb  Pb3  1  0.28  0.0  0.72  1.0

Zr Ta Ta Pb