[CIF]
data_ThTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96050354
_cell_length_b   4.96050354
_cell_length_c   4.96050354
_cell_angle_alpha   124.18116601
_cell_angle_beta   124.18116601
_cell_angle_gamma   82.89876033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTi3
_chemical_formula_sum   'Th1 Ti3'
_cell_volume   80.17954576
_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  0.00000000  -0.00000000  3.71810000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti2  1  2.32188800  -0.00000000  1.85905000  1
  Ti  Ti3  1  -0.00000000  2.32188800  1.85905000  1
[/CIF]
