data_[Zr4Ti2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1546]
_cell_length_b [5.6043]
_cell_length_c [10.3755]
_cell_angle_alpha [99.7118]
_cell_angle_beta [96.0238]
_cell_angle_gamma [97.8323]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr2TiPb]
_chemical_formula_sum '[Zr4 Ti2 Pb2]'
_cell_volume [177.5728]
_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
[
  Zr  Zr0  2  0.1179  0.3489  0.1061  1
  Zr  Zr1  2  0.4793  0.2330  0.3849  1
  Ti  Ti2  2  0.4619  0.0904  0.8764  1
  Pb  Pb3  2  0.0506  0.2810  0.6545  1
]