data_ThUC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   33.75
_cell_angle_beta   33.75
_cell_angle_gamma   33.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThUC2
_chemical_formula_sum   'Th1 U1 C2'
_cell_volume   67.26
_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  0.0  1.0
  U  U1  1  0.0  0.0  0.84  1.0
  C  C2  1  0.0  0.0  0.13  1.0
  C  C3  1  0.0  0.0  0.54  1.0

data_ThUC2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.29
_cell_length_b   3.63
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ThUC2
_chemical_formula_sum   'Th2 U2 C4'
_cell_volume   134.52
_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  0.0  1.0
  U  U1  2  0.0  0.0  0.16  1.0
  C  C2  2  0.0  0.0  0.46  1.0
  C  C3  2  0.0  0.0  0.87  1.0

Th U C C
Th U C C 0 1 o o - 0 2 o o o 1 3 o o o 