data_[Nd2Er1Pu1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1949]
_cell_length_b [4.1298]
_cell_length_c [7.2489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd2ErPuSe4]
_chemical_formula_sum '[Nd2 Er1 Pu1 Se4]'
_cell_volume [203.6209]
_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
[
  Nd  Nd0  1  0.0000  0.5000  0.5000  1
  Nd  Nd1  1  0.5000  0.0000  0.5000  1
  Er  Er2  1  0.0000  0.0000  0.0000  1
  Pu  Pu3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.2411  0.5000  0.2359  1
  Se  Se5  2  0.2497  0.0000  0.7611  1
]