# generated using pymatgen
data_Th3Mg5(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62044250
_cell_length_b   8.96391546
_cell_length_c   11.35446322
_cell_angle_alpha   89.97420064
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Mg5(B6Ru)4
_chemical_formula_sum   'Th3 Mg5 B24 Ru4'
_cell_volume   368.49022330
_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  0.31839417  0.41517315  1.0
  Th  Th1  1  0.00000000  0.67925727  0.58838113  1.0
  Th  Th2  1  0.00000000  0.82432798  0.08315226  1.0
  Mg  Mg3  1  0.00000000  0.17616200  0.91266543  1.0
  Mg  Mg4  1  0.00000000  0.94954128  0.37801953  1.0
  Mg  Mg5  1  0.00000000  0.05393551  0.62585363  1.0
  Mg  Mg6  1  0.00000000  0.44337046  0.12272046  1.0
  Mg  Mg7  1  0.00000000  0.55261744  0.87457594  1.0
  B  B8  1  0.50000000  0.55854788  0.42791979  1.0
  B  B9  1  0.50000000  0.44059723  0.57389732  1.0
  B  B10  1  0.50000000  0.05991163  0.06544753  1.0
  B  B11  1  0.50000000  0.94638580  0.92921032  1.0
  B  B12  1  0.50000000  0.75675363  0.41608244  1.0
  B  B13  1  0.50000000  0.24292658  0.58720386  1.0
  B  B14  1  0.50000000  0.25546912  0.07740756  1.0
  B  B15  1  0.50000000  0.74638049  0.91594364  1.0
  B  B16  1  0.50000000  0.79338217  0.26454289  1.0
  B  B17  1  0.50000000  0.20444215  0.74030525  1.0
  B  B18  1  0.50000000  0.29235231  0.23201871  1.0
  B  B19  1  0.50000000  0.70796698  0.76648158  1.0
  B  B20  1  0.50000000  0.62712082  0.18208092  1.0
  B  B21  1  0.50000000  0.36827721  0.82174149  1.0
  B  B22  1  0.50000000  0.12752410  0.31539567  1.0
  B  B23  1  0.50000000  0.87412960  0.68438265  1.0
  B  B24  1  0.50000000  0.98593414  0.21234877  1.0
  B  B25  1  0.50000000  0.02000449  0.78701175  1.0
  B  B26  1  0.50000000  0.48348308  0.28335686  1.0
  B  B27  1  0.50000000  0.51421702  0.71816517  1.0
  B  B28  1  0.50000000  0.59178830  0.02442409  1.0
  B  B29  1  0.50000000  0.40326884  0.97390039  1.0
  B  B30  1  0.50000000  0.09615832  0.47422348  1.0
  B  B31  1  0.50000000  0.90327236  0.52627594  1.0
  Ru  Ru32  1  0.00000000  0.64159211  0.31642643  1.0
  Ru  Ru33  1  0.00000000  0.35751153  0.68617969  1.0
  Ru  Ru34  1  0.00000000  0.14363264  0.17866253  1.0
  Ru  Ru35  1  0.00000000  0.85936338  0.81842371  1.0