# generated using pymatgen
data_Th(BRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31525730
_cell_length_b   9.31525730
_cell_length_c   9.31525730
_cell_angle_alpha   132.01079225
_cell_angle_beta   132.01079225
_cell_angle_gamma   70.21198223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(BRu)4
_chemical_formula_sum   'Th4 B16 Ru16'
_cell_volume   437.40955279
_cell_formula_units_Z   4
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  0.25000000  0.00000000  1.0
  Th  Th1  1  0.75000000  0.75000000  0.00000000  1.0
  Th  Th2  1  0.50000000  0.00000000  0.50000000  1.0
  Th  Th3  1  0.00000000  0.50000000  0.50000000  1.0
  B  B4  1  0.22830700  0.91497500  0.97865200  1.0
  B  B5  1  0.72830700  0.74965500  0.31333200  1.0
  B  B6  1  0.16497500  0.97830700  0.47865200  1.0
  B  B7  1  0.66497500  0.18632300  0.18666800  1.0
  B  B8  1  0.52169300  0.33502500  0.52134800  1.0
  B  B9  1  0.02169300  0.50034500  0.18666800  1.0
  B  B10  1  0.58502500  0.27169300  0.02134800  1.0
  B  B11  1  0.08502500  0.06367700  0.31333200  1.0
  B  B12  1  0.43632300  0.41497500  0.68666800  1.0
  B  B13  1  0.93632300  0.24965500  0.02134800  1.0
  B  B14  1  0.99965500  0.47830700  0.81333200  1.0
  B  B15  1  0.49965500  0.68632300  0.52134800  1.0
  B  B16  1  0.31367700  0.83502500  0.81333200  1.0
  B  B17  1  0.81367700  0.00034500  0.47865200  1.0
  B  B18  1  0.75034500  0.77169300  0.68666800  1.0
  B  B19  1  0.25034500  0.56367700  0.97865200  1.0
  Ru  Ru20  1  0.54338800  0.07426100  0.24040300  1.0
  Ru  Ru21  1  0.04338800  0.80298400  0.46912700  1.0
  Ru  Ru22  1  0.32426100  0.29338800  0.74040300  1.0
  Ru  Ru23  1  0.82426100  0.08385700  0.03087300  1.0
  Ru  Ru24  1  0.20661200  0.17573900  0.25959700  1.0
  Ru  Ru25  1  0.70661200  0.44701600  0.03087300  1.0
  Ru  Ru26  1  0.42573900  0.95661200  0.75959700  1.0
  Ru  Ru27  1  0.92573900  0.16614300  0.46912700  1.0
  Ru  Ru28  1  0.33385700  0.57426100  0.53087300  1.0
  Ru  Ru29  1  0.83385700  0.30298400  0.75959700  1.0
  Ru  Ru30  1  0.05298400  0.79338800  0.96912700  1.0
  Ru  Ru31  1  0.55298400  0.58385700  0.25959700  1.0
  Ru  Ru32  1  0.41614300  0.67573900  0.96912700  1.0
  Ru  Ru33  1  0.91614300  0.94701600  0.74040300  1.0
  Ru  Ru34  1  0.69701600  0.45661200  0.53087300  1.0
  Ru  Ru35  1  0.19701600  0.66614300  0.24040300  1.0