# generated using pymatgen
data_ThScB6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70418748
_cell_length_b   9.16529615
_cell_length_c   11.63078571
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThScB6Mo
_chemical_formula_sum   'Th4 Sc4 B24 Mo4'
_cell_volume   394.86488736
_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  0.00000000  0.82043644  0.08491901  1.0
  Th  Th1  1  0.00000000  0.17956356  0.91508099  1.0
  Th  Th2  1  0.00000000  0.32043644  0.41508099  1.0
  Th  Th3  1  0.00000000  0.67956356  0.58491901  1.0
  Sc  Sc4  1  0.00000000  0.44475232  0.12858836  1.0
  Sc  Sc5  1  0.00000000  0.55524768  0.87141164  1.0
  Sc  Sc6  1  0.00000000  0.94475232  0.37141164  1.0
  Sc  Sc7  1  0.00000000  0.05524768  0.62858836  1.0
  B  B8  1  0.50000000  0.05599174  0.07009225  1.0
  B  B9  1  0.50000000  0.94400826  0.92990775  1.0
  B  B10  1  0.50000000  0.55599174  0.42990775  1.0
  B  B11  1  0.50000000  0.44400826  0.57009225  1.0
  B  B12  1  0.50000000  0.25602215  0.08417787  1.0
  B  B13  1  0.50000000  0.74397785  0.91582213  1.0
  B  B14  1  0.50000000  0.75602215  0.41582213  1.0
  B  B15  1  0.50000000  0.24397785  0.58417787  1.0
  B  B16  1  0.50000000  0.29521980  0.23469948  1.0
  B  B17  1  0.50000000  0.70478020  0.76530052  1.0
  B  B18  1  0.50000000  0.79521980  0.26530052  1.0
  B  B19  1  0.50000000  0.20478020  0.73469948  1.0
  B  B20  1  0.50000000  0.12727378  0.31697047  1.0
  B  B21  1  0.50000000  0.87272622  0.68302953  1.0
  B  B22  1  0.50000000  0.62727378  0.18302953  1.0
  B  B23  1  0.50000000  0.37272622  0.81697047  1.0
  B  B24  1  0.50000000  0.48189110  0.28398249  1.0
  B  B25  1  0.50000000  0.51810890  0.71601751  1.0
  B  B26  1  0.50000000  0.98189110  0.21601751  1.0
  B  B27  1  0.50000000  0.01810890  0.78398249  1.0
  B  B28  1  0.50000000  0.09473175  0.47446627  1.0
  B  B29  1  0.50000000  0.90526825  0.52553373  1.0
  B  B30  1  0.50000000  0.59473175  0.02553373  1.0
  B  B31  1  0.50000000  0.40526825  0.97446627  1.0
  Mo  Mo32  1  0.00000000  0.14134931  0.18256614  1.0
  Mo  Mo33  1  0.00000000  0.85865069  0.81743386  1.0
  Mo  Mo34  1  0.00000000  0.64134931  0.31743386  1.0
  Mo  Mo35  1  0.00000000  0.35865069  0.68256614  1.0