data_[Li2Pu2Mg2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3592]
_cell_length_b [3.3577]
_cell_length_c [8.9977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPuMgN3]
_chemical_formula_sum '[Li2 Pu2 Mg2 N6]'
_cell_volume [181.1127]
_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
[
  Li  Li0  2  0.3668  0.7500  0.3974  1
  Pu  Pu1  2  0.4329  0.2500  0.1478  1
  Mg  Mg2  2  0.0662  0.7500  0.8852  1
  N  N3  2  0.1847  0.7500  0.1466  1
  N  N4  2  0.3219  0.2500  0.9094  1
  N  N5  2  0.4548  0.7500  0.6361  1
]