data_TiZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   3.3
_cell_angle_alpha   101.99
_cell_angle_beta   101.99
_cell_angle_gamma   111.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnPb2
_chemical_formula_sum   'Ti1 Zn1 Pb2'
_cell_volume   94.27
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.22  0.0  0.0  1.0
  Pb  Pb0  1  1.0  0.62  0.53  1.0
  Pb  Pb1  1  1.0  0.38  0.53  1.0

data_TiZnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   111.9
_cell_angle_beta   101.99
_cell_angle_gamma   101.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnPb2
_chemical_formula_sum   'Ti1 Zn1 Pb2'
_cell_volume   94.27
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.22  0.0  1.0
  Pb  Pb2  1  0.53  1.0  0.38  1.0
  Pb  Pb3  1  0.53  1.0  0.62  1.0

Ti Zn Pb Pb