data_[K6Pu3Mg3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8377]
_cell_length_b [7.8377]
_cell_length_c [19.4510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2PuMgBr6]
_chemical_formula_sum '[K6 Pu3 Mg3 Br18]'
_cell_volume [1034.7797]
_cell_formula_units_Z [3]
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
[
  K  K0  3  0.0000  0.0000  0.4577  1
  K  K1  3  0.0000  0.0000  0.9574  1
  Pu  Pu2  3  0.0000  0.0000  0.1817  1
  Mg  Mg3  3  0.0000  0.0000  0.6808  1
  Br  Br4  9  0.0120  0.4220  0.4234  1
  Br  Br5  9  0.0928  0.7357  0.2635  1
]