data_Li2UO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.89
_cell_length_c   4.35
_cell_angle_alpha   68.98
_cell_angle_beta   67.85
_cell_angle_gamma   43.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2UO4
_chemical_formula_sum   'Li2 U1 O4'
_cell_volume   95.6
_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
  Li  Li0  1  0.03  0.12  0.7  1.0
  Li  Li1  1  0.03  0.12  0.4  1.0
  U  U6  1  0.0  0.0  0.0  1.0
  O  O2  1  0.52  0.56  0.0  1.0
  O  O3  1  0.52  0.56  0.05  1.0
  O  O4  1  0.03  0.12  0.21  1.0
  O  O5  1  0.03  0.12  0.89  1.0

data_Li2UO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.89
_cell_angle_alpha   111.02
_cell_angle_beta   111.02
_cell_angle_gamma   91.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2UO4
_chemical_formula_sum   'Li2 U1 O4'
_cell_volume   95.6
_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
  Li  Li0  1  0.12  0.55  0.15  1.0
  Li  Li1  1  0.12  0.86  0.15  1.0
  U  U2  1  0.0  0.0  0.0  1.0
  O  O3  1  0.12  0.04  0.15  1.0
  O  O4  1  0.12  0.37  0.15  1.0
  O  O5  1  0.56  0.08  0.08  1.0
  O  O6  1  0.56  0.13  0.08  1.0

Li Li U O O O O
Li Li U O O O O 0 6 o o o 1 5 o o o 2 6 o o - 3 4 o o o 