data_[Na2Nd1Pu1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0722]
_cell_length_b [4.0955]
_cell_length_c [7.0906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2NdPuS4]
_chemical_formula_sum '[Na2 Nd1 Pu1 S4]'
_cell_volume [193.4062]
_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
[
  Na  Na0  1  0.5000  0.0000  0.5000  1
  Na  Na1  1  0.5000  0.5000  0.0000  1
  Nd  Nd2  1  0.0000  0.5000  0.5000  1
  Pu  Pu3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2269  0.5000  0.2360  1
  S  S5  2  0.2333  0.0000  0.7487  1
]