data_[Nd2Er12Pu2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.6405]
_cell_length_b [7.1171]
_cell_length_c [12.3011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdEr6Pu]
_chemical_formula_sum '[Nd2 Er12 Pu2]'
_cell_volume [493.8118]
_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
[
  Nd  Nd0  2  0.5000  0.0000  0.1655  1
  Er  Er1  4  0.0000  0.2445  0.5842  1
  Er  Er2  4  0.5000  0.2493  0.4175  1
  Er  Er3  2  0.0000  0.0000  0.3335  1
  Er  Er4  2  0.0000  0.0000  0.8311  1
  Pu  Pu5  2  0.5000  0.0000  0.6666  1
]