data_ZrTiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.29
_cell_angle_alpha   100.59
_cell_angle_beta   100.59
_cell_angle_gamma   31.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiPb2
_chemical_formula_sum   'Zr1 Ti1 Pb2'
_cell_volume   94.45
_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  0.51  0.0  0.23  1.0
  Ti  Ti2  1  0.03  0.0  0.66  1.0
  Pb  Pb0  1  0.09  0.0  0.18  1.0
  Pb  Pb1  1  0.99  0.0  0.71  1.0

data_ZrTiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.29
_cell_length_c   5.93
_cell_angle_alpha   100.59
_cell_angle_beta   105.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiPb2
_chemical_formula_sum   'Zr1 Ti1 Pb2'
_cell_volume   94.45
_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  0.23  0.51  1.0
  Ti  Ti1  1  0.0  0.66  0.03  1.0
  Pb  Pb2  1  0.0  0.18  0.09  1.0
  Pb  Pb3  1  0.0  0.71  0.99  1.0

Zr Ti Pb Pb