data_ZrTaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.36
_cell_length_c   3.15
_cell_angle_alpha   81.6
_cell_angle_beta   74.11
_cell_angle_gamma   24.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaPb
_chemical_formula_sum   'Zr1 Ta1 Pb1'
_cell_volume   66.82
_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  Zr2  1  0.84  0.55  0.64  1.0
  Ta  Ta1  1  0.84  0.55  0.54  1.0
  Pb  Pb0  1  0.84  0.55  0.07  1.0

data_ZrTaPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.68
_cell_length_b   14.24
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   125.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTaPb
_chemical_formula_sum   'Zr2 Ta2 Pb2'
_cell_volume   133.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.14  0.5  0.48  1.0
  Ta  Ta1  2  0.04  0.5  0.38  1.0
  Pb  Pb2  2  0.07  0.0  0.9  1.0

Zr Ta Pb