data_[K3Pu3Be6Cl24]
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
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2075]
_cell_length_b [6.2075]
_cell_length_c [29.6688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KPu(BeCl4)2]
_chemical_formula_sum '[K3 Pu3 Be6 Cl24]'
_cell_volume [990.0622]
_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  0.5000  1
  Pu  Pu1  3  0.0000  0.0000  0.0000  1
  Be  Be2  6  0.0000  0.0000  0.2514  1
  Cl  Cl3  18  0.0053  0.3143  0.2764  1
  Cl  Cl4  6  0.0000  0.0000  0.1859  1
]