data_[Cs4Er2Pu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0037]
_cell_length_b [12.1343]
_cell_length_c [8.5351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Er(PuS3)2]
_chemical_formula_sum '[Cs4 Er2 Pu4 S12]'
_cell_volume [698.4417]
_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
[
  Cs  Cs0  4  0.0000  0.1657  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Pu  Pu2  4  0.0000  0.3338  0.5000  1
  S  S3  8  0.2240  0.1678  0.6743  1
  S  S4  4  0.2244  0.5000  0.6743  1
]