data_[Ti2Zn2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9182]
_cell_length_b [3.1694]
_cell_length_c [8.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TiZnPb]
_chemical_formula_sum '[Ti2 Zn2 Pb2]'
_cell_volume [124.4541]
_cell_formula_units_Z [2]
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  0.1885  0.5000  0.9460  1
  Ti  Ti1  1  0.3301  0.0000  0.2281  1
  Zn  Zn2  1  0.5903  0.5000  0.4852  1
  Zn  Zn3  1  0.8441  0.5000  0.2272  1
  Pb  Pb4  1  0.1166  0.0000  0.5914  1
  Pb  Pb5  1  0.6778  0.0000  0.9149  1
]