data_[Li6Pu4Cu2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5648]
_cell_length_b [11.3629]
_cell_length_c [6.4849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Pu2CuS6]
_chemical_formula_sum '[Li6 Pu4 Cu2 S12]'
_cell_volume [455.6591]
_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
[
  Li  Li0  4  0.0000  0.1636  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.0000  0.3331  0.0000  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2460  0.1637  0.2471  1
  S  S5  4  0.2459  0.0000  0.7534  1
]