data_[Sm1Er1Pu2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0157]
_cell_length_b [3.4982]
_cell_length_c [6.0670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmErPu2N4]
_chemical_formula_sum '[Sm1 Er1 Pu2 N4]'
_cell_volume [120.2936]
_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
[
  Sm  Sm0  1  0.0000  0.5000  0.5000  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Pu  Pu2  1  0.5000  0.0000  0.5000  1
  Pu  Pu3  1  0.5000  0.5000  0.0000  1
  N  N4  2  0.2587  0.5000  0.2454  1
  N  N5  2  0.2643  0.0000  0.7627  1
]