# generated using pymatgen
data_ThScB6Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66051420
_cell_length_b   9.10152450
_cell_length_c   11.53077337
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThScB6Os
_chemical_formula_sum   'Th4 Sc4 B24 Os4'
_cell_volume   384.16223987
_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  0.82063105  0.08585640  1.0
  Th  Th1  1  0.00000000  0.17936895  0.91414360  1.0
  Th  Th2  1  0.00000000  0.32063105  0.41414360  1.0
  Th  Th3  1  0.00000000  0.67936895  0.58585640  1.0
  Sc  Sc4  1  0.00000000  0.44545001  0.12366998  1.0
  Sc  Sc5  1  0.00000000  0.55454999  0.87633002  1.0
  Sc  Sc6  1  0.00000000  0.94545001  0.37633002  1.0
  Sc  Sc7  1  0.00000000  0.05454999  0.62366998  1.0
  B  B8  1  0.50000000  0.05746169  0.07027541  1.0
  B  B9  1  0.50000000  0.94253831  0.92972459  1.0
  B  B10  1  0.50000000  0.55746169  0.42972459  1.0
  B  B11  1  0.50000000  0.44253831  0.57027541  1.0
  B  B12  1  0.50000000  0.25444275  0.08367357  1.0
  B  B13  1  0.50000000  0.74555725  0.91632643  1.0
  B  B14  1  0.50000000  0.75444275  0.41632643  1.0
  B  B15  1  0.50000000  0.24555725  0.58367357  1.0
  B  B16  1  0.50000000  0.29447792  0.23363953  1.0
  B  B17  1  0.50000000  0.70552208  0.76636047  1.0
  B  B18  1  0.50000000  0.79447792  0.26636047  1.0
  B  B19  1  0.50000000  0.20552208  0.73363953  1.0
  B  B20  1  0.50000000  0.12902658  0.31688991  1.0
  B  B21  1  0.50000000  0.87097342  0.68311009  1.0
  B  B22  1  0.50000000  0.62902658  0.18311009  1.0
  B  B23  1  0.50000000  0.37097342  0.81688991  1.0
  B  B24  1  0.50000000  0.48437555  0.28311385  1.0
  B  B25  1  0.50000000  0.51562445  0.71688615  1.0
  B  B26  1  0.50000000  0.98437555  0.21688615  1.0
  B  B27  1  0.50000000  0.01562445  0.78311385  1.0
  B  B28  1  0.50000000  0.09883319  0.47361780  1.0
  B  B29  1  0.50000000  0.90116681  0.52638220  1.0
  B  B30  1  0.50000000  0.59883319  0.02638220  1.0
  B  B31  1  0.50000000  0.40116681  0.97361780  1.0
  Os  Os32  1  0.00000000  0.14148652  0.18263310  1.0
  Os  Os33  1  0.00000000  0.85851348  0.81736690  1.0
  Os  Os34  1  0.00000000  0.64148652  0.31736690  1.0
  Os  Os35  1  0.00000000  0.35851348  0.68263310  1.0