data_[K8Pu6Zn2Se16]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7969]
_cell_length_b [8.4064]
_cell_length_c [9.0426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K4Pu3ZnSe8]
_chemical_formula_sum '[K8 Pu6 Zn2 Se16]'
_cell_volume [946.5685]
_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
[
  K  K0  4  0.2500  0.2500  0.0000  1
  K  K1  2  0.0000  0.0000  0.0000  1
  K  K2  2  0.0000  0.5000  0.0000  1
  Pu  Pu3  4  0.2500  0.2500  0.5000  1
  Pu  Pu4  2  0.0000  0.5000  0.5000  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
  Se  Se6  8  0.0152  0.2375  0.3055  1
  Se  Se7  4  0.2354  0.5000  0.7062  1
  Se  Se8  4  0.2394  0.0000  0.7053  1
]