# generated using pymatgen
data_Th(BRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77610569
_cell_length_b   6.01598030
_cell_length_c   5.56974286
_cell_angle_alpha   71.46907568
_cell_angle_beta   57.32973892
_cell_angle_gamma   51.20118539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(BRu)2
_chemical_formula_sum   'Th2 B4 Ru4'
_cell_volume   148.88421904
_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  0.00000000  -0.00000000  0.00000000  1.0
  Th  Th1  1  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.31796467  0.68203533  0.31796467  1.0
  B  B3  1  0.68203533  0.31796467  0.68203533  1.0
  B  B4  1  0.56796467  0.93203533  0.56796467  1.0
  B  B5  1  0.93203533  0.56796467  0.93203533  1.0
  Ru  Ru6  1  0.63701354  0.63701354  0.36298646  1.0
  Ru  Ru7  1  0.36298646  0.36298646  0.63701354  1.0
  Ru  Ru8  1  0.61298646  0.61298646  0.88701354  1.0
  Ru  Ru9  1  0.88701354  0.88701354  0.61298646  1.0