data_[Tb4Tm16Pu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4891]
_cell_length_b [18.1430]
_cell_length_c [11.2840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbTm4Pu]
_chemical_formula_sum '[Tb4 Tm16 Pu4]'
_cell_volume [714.3010]
_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
[
  Tb  Tb0  4  0.0000  0.2781  0.5154  1
  Tm  Tm1  4  0.0000  0.0557  0.0180  1
  Tm  Tm2  4  0.0000  0.1671  0.2685  1
  Tm  Tm3  4  0.0000  0.3894  0.0219  1
  Tm  Tm4  4  0.0000  0.4993  0.2700  1
  Pu  Pu5  4  0.0000  0.1662  0.7672  1
]