data_UTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   56.49
_cell_angle_beta   56.49
_cell_angle_gamma   56.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UTiO3
_chemical_formula_sum   'U2 Ti2 O6'
_cell_volume   132.05
_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
  U  U8  1  0.0  0.0  0.11  1.0
  U  U9  1  0.0  0.0  0.66  1.0
  Ti  Ti6  1  0.0  0.0  0.02  1.0
  Ti  Ti7  1  0.0  0.0  0.75  1.0
  O  O0  1  0.81  0.81  0.05  1.0
  O  O1  1  0.26  0.66  0.05  1.0
  O  O2  1  0.93  0.53  0.05  1.0
  O  O3  1  0.07  0.47  0.72  1.0
  O  O4  1  0.74  0.34  0.72  1.0
  O  O5  1  0.19  0.19  0.72  1.0

data_UTiO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.88
_cell_angle_alpha   61.75
_cell_angle_beta   61.75
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   UTiO3
_chemical_formula_sum   'U2 Ti2 O6'
_cell_volume   132.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.22  0.28  1.0
  Ti  Ti1  2  0.0  0.14  0.36  1.0
  O  O2  2  0.19  0.83  0.28  1.0
  O  O3  2  0.34  0.83  0.59  1.0
  O  O4  2  0.47  0.83  0.13  1.0

U U Ti Ti O O O O O O
U U Ti Ti O O O O O O 0 2 o o o 0 5 o - o 1 3 o o o 1 8 - o o 2 5 o - o 2 9 o o - 3 4 - - + 3 8 - o o 4 6 o o o 7 9 o o o 