data_[Sr2Pu2Zr2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pu  1.2800  1.7500  0.9675
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1498]
_cell_length_b [3.4648]
_cell_length_c [9.1805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrPuZrN3]
_chemical_formula_sum '[Sr2 Pu2 Zr2 N6]'
_cell_volume [221.8807]
_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
[
  Sr  Sr0  2  0.1720  0.7500  0.1532  1
  Pu  Pu1  2  0.0770  0.7500  0.6040  1
  Zr  Zr2  2  0.3651  0.2500  0.8681  1
  N  N3  2  0.1216  0.7500  0.8442  1
  N  N4  2  0.2524  0.2500  0.6234  1
  N  N5  2  0.4317  0.2500  0.1119  1
]