data_[Pu8Mn4Cr4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2167]
_cell_length_b [12.8094]
_cell_length_c [9.6598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pu2MnCrN5]
_chemical_formula_sum '[Pu8 Mn4 Cr4 N20]'
_cell_volume [398.0210]
_cell_formula_units_Z [4]
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
[
  Pu  Pu0  4  0.0000  0.1131  0.6772  1
  Pu  Pu1  4  0.0000  0.1423  0.3073  1
  Mn  Mn2  4  0.0000  0.2076  0.0144  1
  Cr  Cr3  4  0.0000  0.4497  0.4560  1
  N  N4  4  0.0000  0.0538  0.0522  1
  N  N5  4  0.0000  0.2868  0.6566  1
  N  N6  4  0.0000  0.3138  0.3779  1
  N  N7  4  0.0000  0.3628  0.9993  1
  N  N8  4  0.0000  0.4982  0.7832  1
]