data_[Ti16Fe2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2513]
_cell_length_b [4.7619]
_cell_length_c [5.3755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8FePb2]
_chemical_formula_sum '[Ti16 Fe2 Pb4]'
_cell_volume [388.7412]
_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  4  0.0422  0.0000  0.2696  1.0
  Ti  Ti1  4  0.0803  0.5000  0.5710  1.0
  Ti  Ti2  4  0.1447  0.5000  0.1133  1.0
  Ti  Ti3  4  0.2354  0.0000  0.3469  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1565  0.0000  0.8104  1.0
]