data_[Tm4Pu4Cl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2849]
_cell_length_b [4.1417]
_cell_length_c [9.6649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmPuClO3]
_chemical_formula_sum '[Tm4 Pu4 Cl4 O12]'
_cell_volume [418.1312]
_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
[
  Tm  Tm0  4  0.2190  0.0000  0.1900  1
  Pu  Pu1  4  0.1083  0.5000  0.4068  1
  Cl  Cl2  4  0.1125  0.0000  0.8913  1
  O  O3  4  0.0993  0.5000  0.6321  1
  O  O4  4  0.1555  0.5000  0.2090  1
  O  O5  4  0.1773  0.0000  0.4081  1
]