data_[Tm16Pu4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [10.2744]
_cell_length_b [10.2744]
_cell_length_c [7.9732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Tm4PuPb]
_chemical_formula_sum '[Tm16 Pu4 Pb4]'
_cell_volume [841.6833]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  8  0.0000  0.2538  0.2846  1
  Tm  Tm1  8  0.0000  0.3098  0.7335  1
  Pu  Pu2  4  0.0000  0.0000  0.1743  1
  Pb  Pb3  4  0.0000  0.0000  0.7894  1
]