data_[Pm1Dy1Pu2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  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 [6.8550]
_cell_length_b [3.9536]
_cell_length_c [6.8814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PmDy(PuS2)2]
_chemical_formula_sum '[Pm1 Dy1 Pu2 S4]'
_cell_volume [175.9713]
_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
[
  Pm  Pm0  1  0.0000  0.0000  0.0000  1
  Dy  Dy1  1  0.5000  0.5000  0.0000  1
  Pu  Pu2  1  0.0000  0.5000  0.5000  1
  Pu  Pu3  1  0.5000  0.0000  0.5000  1
  S  S4  2  0.2553  0.0000  0.7503  1
  S  S5  2  0.2563  0.5000  0.2539  1
]