data_[Ca2Pu2Ga2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1517]
_cell_length_b [3.4152]
_cell_length_c [7.6205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaPuGaN3]
_chemical_formula_sum '[Ca2 Pu2 Ga2 N6]'
_cell_volume [185.6342]
_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  2  0.1548  0.7500  0.1789  1
  Pu  Pu1  2  0.3705  0.2500  0.8374  1
  Ga  Ga2  2  0.1158  0.7500  0.5904  1
  N  N3  2  0.1479  0.7500  0.8481  1
  N  N4  2  0.1690  0.2500  0.4739  1
  N  N5  2  0.4169  0.2500  0.1229  1
]