# generated using pymatgen
data_Th8Zr9Sc3Sn16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83463870
_cell_length_b   7.93302951
_cell_length_c   14.95718003
_cell_angle_alpha   90.04093441
_cell_angle_beta   89.93063833
_cell_angle_gamma   90.04338755
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th8Zr9Sc3Sn16
_chemical_formula_sum   'Th8 Zr9 Sc3 Sn16'
_cell_volume   929.62375097
_cell_formula_units_Z   1
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  0.50690203  0.32378019  0.90694877  1.0
  Th  Th1  1  0.00715691  0.17699637  0.59468255  1.0
  Th  Th2  1  0.49384631  0.67610285  0.40507124  1.0
  Th  Th3  1  0.99117281  0.82707056  0.09463609  1.0
  Th  Th4  1  0.48945741  0.67371475  0.09306672  1.0
  Th  Th5  1  0.98967721  0.82520014  0.40591751  1.0
  Th  Th6  1  0.51171386  0.32468552  0.59338306  1.0
  Th  Th7  1  0.01003615  0.17326941  0.90736344  1.0
  Zr  Zr8  1  0.34089434  0.83857027  0.87288320  1.0
  Zr  Zr9  1  0.84266853  0.65914632  0.62739567  1.0
  Zr  Zr10  1  0.65810405  0.15881291  0.37425497  1.0
  Zr  Zr11  1  0.15902612  0.33914938  0.12667184  1.0
  Zr  Zr12  1  0.66058637  0.16209200  0.12551377  1.0
  Zr  Zr13  1  0.16846691  0.50019448  0.74949676  1.0
  Zr  Zr14  1  0.66889629  0.99970831  0.75076005  1.0
  Zr  Zr15  1  0.82921945  0.49889454  0.24903477  1.0
  Zr  Zr16  1  0.33257705  0.00230743  0.24939958  1.0
  Sc  Sc17  1  0.15835110  0.34006917  0.37404051  1.0
  Sc  Sc18  1  0.34117903  0.84019422  0.62576217  1.0
  Sc  Sc19  1  0.84074422  0.66086332  0.87351178  1.0
  Sn  Sn20  1  0.31941765  0.04516938  0.04431012  1.0
  Sn  Sn21  1  0.81728305  0.45301827  0.45577140  1.0
  Sn  Sn22  1  0.68344258  0.95221328  0.54449778  1.0
  Sn  Sn23  1  0.18113968  0.54592564  0.95581579  1.0
  Sn  Sn24  1  0.67895782  0.95422878  0.95548566  1.0
  Sn  Sn25  1  0.18134528  0.54556983  0.54500064  1.0
  Sn  Sn26  1  0.31887592  0.04584400  0.45482741  1.0
  Sn  Sn27  1  0.82032972  0.45599911  0.04457211  1.0
  Sn  Sn28  1  0.53708169  0.62988886  0.74938964  1.0
  Sn  Sn29  1  0.03721322  0.87035949  0.75052262  1.0
  Sn  Sn30  1  0.46210150  0.36932782  0.25008031  1.0
  Sn  Sn31  1  0.96187225  0.13161446  0.25008350  1.0
  Sn  Sn32  1  0.31053775  0.14264710  0.74953664  1.0
  Sn  Sn33  1  0.80999726  0.35707314  0.75163234  1.0
  Sn  Sn34  1  0.68963538  0.85812367  0.24874748  1.0
  Sn  Sn35  1  0.19009211  0.64217903  0.24993313  1.0