data_[Cs2Tm1Pu1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1474]
_cell_length_b [4.1152]
_cell_length_c [8.3758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2TmPuS4]
_chemical_formula_sum '[Cs2 Tm1 Pu1 S4]'
_cell_volume [236.2593]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1
  Cs  Cs1  1  0.5000  0.0000  0.5000  1
  Tm  Tm2  1  0.0000  0.0000  0.0000  1
  Pu  Pu3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2200  0.5000  0.1801  1
  S  S5  2  0.2685  0.0000  0.8210  1
]