# generated using pymatgen
data_Zr3Sc(Ta3Si4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85784238
_cell_length_b   6.85655379
_cell_length_c   12.65076987
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96048053
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc(Ta3Si4)2
_chemical_formula_sum   'Zr6 Sc2 Ta12 Si16'
_cell_volume   594.85379768
_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
  Zr  Zr0  1  0.65929331  0.00246254  0.96887109  1.0
  Zr  Zr1  1  0.16029304  0.49894068  0.78151658  1.0
  Zr  Zr2  1  0.83970696  0.50105932  0.28151658  1.0
  Zr  Zr3  1  0.49864971  0.16038586  0.21917634  1.0
  Zr  Zr4  1  0.50135029  0.83961414  0.71917634  1.0
  Zr  Zr5  1  0.34070669  0.99753746  0.46887109  1.0
  Sc  Sc6  1  0.00046059  0.66140169  0.02995889  1.0
  Sc  Sc7  1  0.99953941  0.33859831  0.52995889  1.0
  Ta  Ta8  1  0.34761124  0.50460417  0.37613821  1.0
  Ta  Ta9  1  0.84651199  0.99573258  0.37293677  1.0
  Ta  Ta10  1  0.00448162  0.15202104  0.12714727  1.0
  Ta  Ta11  1  0.99551838  0.84797896  0.62714727  1.0
  Ta  Ta12  1  0.65238876  0.49539583  0.87613821  1.0
  Ta  Ta13  1  0.50447323  0.34816800  0.62406262  1.0
  Ta  Ta14  1  0.49552677  0.65183200  0.12406262  1.0
  Ta  Ta15  1  0.15348801  0.00426742  0.87293677  1.0
  Ta  Ta16  1  0.66889739  0.67142464  0.50022715  1.0
  Ta  Ta17  1  0.82982137  0.17030381  0.75025107  1.0
  Ta  Ta18  1  0.17017863  0.82969619  0.25025107  1.0
  Ta  Ta19  1  0.33110261  0.32857536  0.00022715  1.0
  Si  Si20  1  0.04378637  0.70042361  0.43748884  1.0
  Si  Si21  1  0.95621363  0.29957639  0.93748884  1.0
  Si  Si22  1  0.70268945  0.04600584  0.56325599  1.0
  Si  Si23  1  0.19978824  0.45674143  0.18586728  1.0
  Si  Si24  1  0.80021176  0.54325857  0.68586728  1.0
  Si  Si25  1  0.45515266  0.20146640  0.81301488  1.0
  Si  Si26  1  0.54484734  0.79853360  0.31301488  1.0
  Si  Si27  1  0.29731055  0.95399416  0.06325599  1.0
  Si  Si28  1  0.86444384  0.79189700  0.82218994  1.0
  Si  Si29  1  0.13555616  0.20810300  0.32218994  1.0
  Si  Si30  1  0.79294887  0.86277859  0.17736456  1.0
  Si  Si31  1  0.29122716  0.63517787  0.57231102  1.0
  Si  Si32  1  0.70877284  0.36482213  0.07231102  1.0
  Si  Si33  1  0.63623180  0.29278005  0.42822151  1.0
  Si  Si34  1  0.36376820  0.70721995  0.92822151  1.0
  Si  Si35  1  0.20705113  0.13722141  0.67736456  1.0