data_[Sr1U1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5903]
_cell_length_b [5.6644]
_cell_length_c [5.9218]
_cell_angle_alpha [90.3158]
_cell_angle_beta [116.8644]
_cell_angle_gamma [119.1856]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrU(FeO3)2]
_chemical_formula_sum '[Sr1 U1 Fe2 O6]'
_cell_volume [139.7694]
_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
[
  Sr  Sr0  1  0.3867  0.1927  0.5908  1
  U  U1  1  0.3585  0.6784  0.0393  1
  Fe  Fe2  1  0.9376  0.4582  0.4161  1
  Fe  Fe3  1  0.9687  0.0044  0.9567  1
  O  O4  1  0.1371  0.8583  0.7899  1
  O  O5  1  0.1632  0.7294  0.2513  1
  O  O6  1  0.4774  0.4042  0.2281  1
  O  O7  1  0.4948  0.6451  0.7781  1
  O  O8  1  0.8294  0.0714  0.2214  1
  O  O9  1  0.9235  0.2963  0.7435  1
]