data_[Tb2Pu2Mg2]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5985]
_cell_length_b [3.4792]
_cell_length_c [7.9106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbPuMg]
_chemical_formula_sum '[Tb2 Pu2 Mg2]'
_cell_volume [151.8821]
_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
[
  Tb  Tb0  2  0.2445  0.2500  0.4934  1
  Pu  Pu1  2  0.0108  0.7500  0.0962  1
  Mg  Mg2  2  0.4687  0.7500  0.8408  1
]