data_Zr2TiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.37
_cell_angle_alpha   104.5
_cell_angle_beta   104.5
_cell_angle_gamma   34.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiPb
_chemical_formula_sum   'Zr2 Ti1 Pb1'
_cell_volume   88.34
_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  0.05  0.0  0.15  1.0
  Zr  Zr3  1  0.57  0.0  0.36  1.0
  Ti  Ti1  1  0.61  0.0  0.81  1.0
  Pb  Pb0  1  0.65  0.0  0.63  1.0

data_Zr2TiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.37
_cell_length_c   5.52
_cell_angle_alpha   104.5
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiPb
_chemical_formula_sum   'Zr2 Ti1 Pb1'
_cell_volume   88.34
_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  0.15  0.05  1.0
  Zr  Zr1  1  0.0  0.36  0.57  1.0
  Ti  Ti2  1  0.0  0.81  0.61  1.0
  Pb  Pb3  1  0.0  0.63  0.65  1.0

Zr Zr Ti Pb