data_Ti2ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   132.56
_cell_angle_beta   132.56
_cell_angle_gamma   69.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnPb
_chemical_formula_sum   'Ti2 Zn1 Pb1'
_cell_volume   72.15
_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  Ti1  1  0.0  0.07  0.11  1.0
  Ti  Ti2  1  0.07  0.0  0.11  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.22  1.0

data_Ti2ZnPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   124.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2ZnPb
_chemical_formula_sum   'Ti4 Zn2 Pb2'
_cell_volume   144.3
_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
  Ti  Ti0  4  0.42  0.47  0.95  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.28  0.5  0.78  1.0

Ti Ti Zn Pb