data_[Ca6Y2Pu4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0775]
_cell_length_b [3.5017]
_cell_length_c [6.9864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3YPu2N6]
_chemical_formula_sum '[Ca6 Y2 Pu4 N12]'
_cell_volume [358.6141]
_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
[
  Ca  Ca0  4  0.1662  0.0000  0.8326  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  Pu  Pu3  4  0.1656  0.0000  0.3297  1
  N  N4  4  0.0134  0.0000  0.2480  1
  N  N5  4  0.1641  0.5000  0.1083  1
  N  N6  4  0.1775  0.5000  0.5646  1
]