data_Th2ZrUO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2ZrUO8
_chemical_formula_sum   'Th2 Zr1 U1 O8'
_cell_volume   162.86
_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
  Th  Th0  1  0.0  0.0  0.43  1.0
  Th  Th1  1  0.93  0.93  0.3  1.0
  Zr  Zr2  1  0.0  0.0  0.04  1.0
  U  U3  1  0.93  0.93  0.62  1.0
  O  O4  1  0.0  0.93  0.86  1.0
  O  O5  1  0.93  0.0  0.72  1.0
  O  O6  1  0.0  0.93  0.31  1.0
  O  O7  1  0.93  0.0  1.0  1.0
  O  O8  1  0.0  0.93  0.72  1.0
  O  O9  1  0.93  0.0  0.31  1.0
  O  O10  1  0.0  0.93  1.0  1.0
  O  O11  1  0.93  0.0  0.86  1.0

data_Th2ZrUO8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Th2ZrUO8
_chemical_formula_sum   'Th4 Zr2 U2 O16'
_cell_volume   325.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Th  Th0  2  0.0  0.0  0.43  1.0
  Th  Th1  2  0.43  0.5  0.3  1.0
  Zr  Zr2  2  0.0  0.0  0.04  1.0
  U  U3  2  0.43  0.5  0.62  1.0
  O  O4  4  0.46  0.46  0.31  1.0
  O  O5  4  0.46  0.46  0.86  1.0
  O  O6  4  0.46  0.46  0.72  1.0
  O  O7  4  0.46  0.46  1.0  1.0

Th Th Zr U O O O O O O O O
Th Th Zr U O O O O O O O O 0 1 - - o 0 9 - o o 0 6 o - o 1 6 + o o 1 9 o + o 2 7 - o - 2 10 o - - 3 8 + o o 3 5 o + o 4 11 - + o 5 8 + - o 7 10 + - o 