data_[Tb1Pu2Np1Se4]
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
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0879]
_cell_length_b [4.0043]
_cell_length_c [7.2240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbPu2NpSe4]
_chemical_formula_sum '[Tb1 Pu2 Np1 Se4]'
_cell_volume [205.0344]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  1  0.0000  0.0000  0.5000  1
  Pu  Pu2  1  0.5000  0.5000  0.0000  1
  Np  Np3  1  0.5000  0.5000  0.5000  1
  Se  Se4  2  0.1675  0.5000  0.2462  1
  Se  Se5  2  0.3277  0.0000  0.7523  1
]