data_[Tb4Pu4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pu  1.2800  1.7500  0.9675
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3456]
_cell_length_b [5.2737]
_cell_length_c [5.7964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbPuMo]
_chemical_formula_sum '[Tb4 Pu4 Mo4]'
_cell_volume [263.9034]
_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  0.1260  0.0000  0.3279  1
  Pu  Pu1  4  0.0349  0.5000  0.7208  1
  Mo  Mo2  4  0.2499  0.5000  0.0973  1
]