data_[K8Pu4Te4S16]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7074]
_cell_length_b [11.6119]
_cell_length_c [8.3326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.1179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2PuTeS4]
_chemical_formula_sum '[K8 Pu4 Te4 S16]'
_cell_volume [903.2687]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.0000  1
  K  K1  4  0.2500  0.2500  0.0000  1
  Pu  Pu2  4  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.2500  0.2500  0.5000  1
  S  S4  8  0.0387  0.2316  0.5306  1
  S  S5  8  0.2000  0.0192  0.4221  1
]