data_[Pr2Tm1Pu1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0301]
_cell_length_b [5.5813]
_cell_length_c [7.5476]
_cell_angle_alpha [88.1449]
_cell_angle_beta [89.5576]
_cell_angle_gamma [83.6076]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2TmPuO8]
_chemical_formula_sum '[Pr2 Tm1 Pu1 O8]'
_cell_volume [168.6227]
_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
[
  Pr  Pr0  2  0.4990  0.4868  0.2594  1
  Tm  Tm1  1  0.0000  0.0000  0.5000  1
  Pu  Pu2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.0433  0.2351  0.2337  1
  O  O4  2  0.0551  0.2178  0.7856  1
  O  O5  2  0.4228  0.7872  0.9965  1
  O  O6  2  0.4745  0.7585  0.4877  1
]