# generated using pymatgen
data_Th4NiRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03047444
_cell_length_b   6.01912505
_cell_length_c   14.73170544
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4NiRu3
_chemical_formula_sum   'Th8 Ni2 Ru6'
_cell_volume   357.39013746
_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  0.25000000  0.56291087  0.28614134  1.0
  Th  Th1  1  0.75000000  0.43751628  0.71420607  1.0
  Th  Th2  1  0.25000000  0.93708913  0.78614134  1.0
  Th  Th3  1  0.25000000  0.75463059  0.53572449  1.0
  Th  Th4  1  0.25000000  0.74536941  0.03572449  1.0
  Th  Th5  1  0.75000000  0.25911206  0.96211870  1.0
  Th  Th6  1  0.75000000  0.06248372  0.21420607  1.0
  Th  Th7  1  0.75000000  0.24088794  0.46211870  1.0
  Ni  Ni8  1  0.25000000  0.24742726  0.09950120  1.0
  Ni  Ni9  1  0.25000000  0.25257274  0.59950120  1.0
  Ru  Ru10  1  0.25000000  0.06892872  0.34765096  1.0
  Ru  Ru11  1  0.75000000  0.55850600  0.14793675  1.0
  Ru  Ru12  1  0.75000000  0.72221693  0.40671950  1.0
  Ru  Ru13  1  0.25000000  0.43107128  0.84765096  1.0
  Ru  Ru14  1  0.75000000  0.94149400  0.64793675  1.0
  Ru  Ru15  1  0.75000000  0.77778307  0.90671950  1.0