data_[Li2Pu1Hg1Cl8]
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
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1102]
_cell_length_b [8.2486]
_cell_length_c [6.2246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2PuHgCl8]
_chemical_formula_sum '[Li2 Pu1 Hg1 Cl8]'
_cell_volume [312.4412]
_cell_formula_units_Z [1]
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  2  0.5000  0.2536  0.5000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  1  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.2191  0.2243  0.8129  1
  Cl  Cl4  2  0.2859  0.5000  0.3071  1
  Cl  Cl5  2  0.2921  0.0000  0.3256  1
]