# generated using pymatgen
data_Th4Sc6Sn7Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93944468
_cell_length_b   7.98906666
_cell_length_c   14.98890525
_cell_angle_alpha   90.01640425
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Sc6Sn7Bi
_chemical_formula_sum   'Th8 Sc12 Sn14 Bi2'
_cell_volume   950.72752783
_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  0.51696011  0.32531336  0.90497280  1.0
  Th  Th1  1  0.01696011  0.17468664  0.59502720  1.0
  Th  Th2  1  0.47983403  0.67959618  0.40500682  1.0
  Th  Th3  1  0.97983403  0.82040382  0.09499318  1.0
  Th  Th4  1  0.48631121  0.67440263  0.09344465  1.0
  Th  Th5  1  0.98631121  0.82559737  0.40655535  1.0
  Th  Th6  1  0.51143175  0.32104396  0.59562048  1.0
  Th  Th7  1  0.01143175  0.17895604  0.90437952  1.0
  Sc  Sc8  1  0.35140391  0.83956705  0.87297065  1.0
  Sc  Sc9  1  0.85140391  0.66043295  0.62702935  1.0
  Sc  Sc10  1  0.64645682  0.15246093  0.37163760  1.0
  Sc  Sc11  1  0.14645682  0.34753907  0.12836240  1.0
  Sc  Sc12  1  0.65638371  0.15818353  0.12640990  1.0
  Sc  Sc13  1  0.15638371  0.34181647  0.37359010  1.0
  Sc  Sc14  1  0.35008050  0.84220019  0.62727212  1.0
  Sc  Sc15  1  0.85008050  0.65779981  0.87272788  1.0
  Sc  Sc16  1  0.17940262  0.49929057  0.74963593  1.0
  Sc  Sc17  1  0.67940262  0.00070943  0.75036407  1.0
  Sc  Sc18  1  0.82035426  0.50190221  0.24718715  1.0
  Sc  Sc19  1  0.32035426  0.99809779  0.25281285  1.0
  Sn  Sn20  1  0.68944414  0.95297505  0.54385578  1.0
  Sn  Sn21  1  0.18944414  0.54702495  0.95614422  1.0
  Sn  Sn22  1  0.69338145  0.95186482  0.95469619  1.0
  Sn  Sn23  1  0.19338145  0.54813518  0.54530381  1.0
  Sn  Sn24  1  0.31072099  0.04772663  0.45711241  1.0
  Sn  Sn25  1  0.81072099  0.45227337  0.04288759  1.0
  Sn  Sn26  1  0.54425028  0.63091800  0.74960420  1.0
  Sn  Sn27  1  0.04425028  0.86908200  0.75039580  1.0
  Sn  Sn28  1  0.45745705  0.36812268  0.24899040  1.0
  Sn  Sn29  1  0.95745705  0.13187732  0.25100960  1.0
  Sn  Sn30  1  0.31855273  0.14283935  0.75143586  1.0
  Sn  Sn31  1  0.81855273  0.35716065  0.74856414  1.0
  Sn  Sn32  1  0.67981261  0.85459992  0.24968184  1.0
  Sn  Sn33  1  0.17981261  0.64540008  0.25031816  1.0
  Bi  Bi34  1  0.30776283  0.04961437  0.04527315  1.0
  Bi  Bi35  1  0.80776283  0.45038563  0.45472685  1.0