data_[K6Pu4Sn2Te12]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9692]
_cell_length_b [13.7999]
_cell_length_c [8.5344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Pu2SnTe6]
_chemical_formula_sum '[K6 Pu4 Sn2 Te12]'
_cell_volume [891.9971]
_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  0.0000  0.1626  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.0000  0.3329  0.0000  1
  Sn  Sn3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2409  0.1717  0.2072  1
  Te  Te5  4  0.2253  0.5000  0.2062  1
]