# generated using pymatgen
data_ThRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40426263
_cell_length_b   5.40428403
_cell_length_c   5.40426260
_cell_angle_alpha   60.00009838
_cell_angle_beta   59.99997052
_cell_angle_gamma   60.00007613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThRu2
_chemical_formula_sum   'Th2 Ru4'
_cell_volume   111.60831051
_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
  Th  Th0  1  0.12500000  0.12499900  0.12500100  1.0
  Th  Th1  1  0.87500000  0.87500100  0.87499900  1.0
  Ru  Ru2  1  0.50000000  0.50000000  -0.00000000  1.0
  Ru  Ru3  1  -0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru4  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru5  1  0.50000000  0.50000000  0.50000000  1.0