data_[U4Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6786]
_cell_length_b [8.8256]
_cell_length_c [5.2175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [UNiO3]
_chemical_formula_sum '[U4 Ni4 O12]'
_cell_volume [283.7591]
_cell_formula_units_Z [4]
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
[
  U  U0  4  0.0000  0.3469  0.7500  1
  Ni  Ni1  4  0.2500  0.2500  0.5000  1
  O  O2  8  0.1781  0.1583  0.1001  1
  O  O3  4  0.0000  0.4084  0.2500  1
]