data_LiU2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   119.62
_cell_angle_beta   119.62
_cell_angle_gamma   90.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiU2O4
_chemical_formula_sum   'Li2 U4 O8'
_cell_volume   228.26
_cell_formula_units_Z   2
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
  Li  Li0  1  0.0  0.44  0.41  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  U  U10  1  0.0  0.72  0.02  1.0
  U  U11  1  0.72  0.0  0.61  1.0
  U  U12  1  0.44  0.72  0.2  1.0
  U  U13  1  0.72  0.44  0.8  1.0
  O  O2  1  0.84  0.0  0.27  1.0
  O  O3  1  0.04  0.0  0.27  1.0
  O  O4  1  0.44  0.4  0.54  1.0
  O  O5  1  0.44  0.84  0.87  1.0
  O  O6  1  0.44  0.6  0.54  1.0
  O  O7  1  0.0  0.6  0.68  1.0
  O  O8  1  0.6  0.0  0.95  1.0
  O  O9  1  0.84  0.44  0.13  1.0

data_LiU2O4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   90.66
_cell_angle_beta   119.62
_cell_angle_gamma   119.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiU2O4
_chemical_formula_sum   'Li2 U4 O8'
_cell_volume   228.26
_cell_formula_units_Z   2
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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.41  0.0  0.44  1.0
  U  U2  1  0.02  0.0  0.72  1.0
  U  U3  1  0.2  0.44  0.72  1.0
  U  U4  1  0.61  0.72  0.0  1.0
  U  U5  1  0.8  0.72  0.44  1.0
  O  O6  1  0.13  0.84  0.44  1.0
  O  O7  1  0.27  0.04  0.0  1.0
  O  O8  1  0.27  0.84  0.0  1.0
  O  O9  1  0.54  0.44  0.4  1.0
  O  O10  1  0.54  0.44  0.6  1.0
  O  O11  1  0.68  0.0  0.6  1.0
  O  O12  1  0.87  0.44  0.84  1.0
  O  O13  1  0.95  0.6  0.0  1.0

Li Li U U U U O O O O O O O O
Li Li U U U U O O O O O O O O 0 13 - o o 0 11 o o o 1 2 o - o 1 7 o o o 1 3 - o - 2 5 - o - 2 7 o + o 2 11 o o - 3 4 o - o 3 5 o o o 5 8 o o o 5 13 o o + 6 7 + o o 8 10 o o o 9 12 o + o 