data_[Sr24U40O96]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.0730]
_cell_length_b [14.0730]
_cell_length_c [14.0730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Sr3U5O12]
_chemical_formula_sum '[Sr24 U40 O96]'
_cell_volume [2787.1253]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  U  U1  24  0.0000  0.2500  0.3750  1
  U  U2  16  0.0000  0.0000  0.0000  1
  O  O3  96  0.0245  0.0529  0.6480  1
]