# generated using pymatgen
data_Sc4Si7Ni12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00166483
_cell_length_b   12.23352179
_cell_length_c   17.92398456
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Si7Ni12
_chemical_formula_sum   'Sc24 Si42 Ni72'
_cell_volume   1754.55269845
_cell_formula_units_Z   6
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
  Sc  Sc0  1  0.00000000  0.50000000  0.30903400  1
  Sc  Sc1  1  0.00000000  0.50000000  0.69096600  1
  Sc  Sc2  1  0.50000000  0.68394900  0.78550200  1
  Sc  Sc3  1  0.00000000  0.50000000  0.87081800  1
  Sc  Sc4  1  0.50000000  0.31605100  0.21449800  1
  Sc  Sc5  1  0.00000000  0.50000000  0.12918200  1
  Sc  Sc6  1  0.79583300  0.18140300  0.00000000  1
  Sc  Sc7  1  0.50000000  0.68394900  0.21449800  1
  Sc  Sc8  1  0.20416700  0.81859700  0.00000000  1
  Sc  Sc9  1  0.50000000  0.31605100  0.78550200  1
  Sc  Sc10  1  0.20416700  0.18140300  0.00000000  1
  Sc  Sc11  1  0.79583300  0.81859700  0.00000000  1
  Sc  Sc12  1  0.50000000  0.00000000  0.80903400  1
  Sc  Sc13  1  0.50000000  0.00000000  0.19096600  1
  Sc  Sc14  1  0.00000000  0.18394900  0.28550200  1
  Sc  Sc15  1  0.50000000  0.00000000  0.37081800  1
  Sc  Sc16  1  0.00000000  0.81605100  0.71449800  1
  Sc  Sc17  1  0.50000000  0.00000000  0.62918200  1
  Sc  Sc18  1  0.29583300  0.68140300  0.50000000  1
  Sc  Sc19  1  0.00000000  0.18394900  0.71449800  1
  Sc  Sc20  1  0.70416700  0.31859700  0.50000000  1
  Sc  Sc21  1  0.00000000  0.81605100  0.28550200  1
  Sc  Sc22  1  0.70416700  0.68140300  0.50000000  1
  Sc  Sc23  1  0.29583300  0.31859700  0.50000000  1
  Si  Si24  1  0.67751800  0.50000000  0.83152400  1
  Si  Si25  1  0.76761700  0.50000000  0.00000000  1
  Si  Si26  1  0.25865200  0.83322900  0.84356400  1
  Si  Si27  1  0.50000000  0.67410200  0.00000000  1
  Si  Si28  1  0.00000000  0.28288700  0.88341600  1
  Si  Si29  1  0.32248200  0.50000000  0.83152400  1
  Si  Si30  1  0.25865200  0.16677100  0.84356400  1
  Si  Si31  1  0.00000000  0.71711300  0.88341600  1
  Si  Si32  1  0.25865200  0.16677100  0.15643600  1
  Si  Si33  1  0.00000000  0.28288700  0.11658400  1
  Si  Si34  1  0.32248200  0.50000000  0.16847600  1
  Si  Si35  1  0.23238300  0.50000000  0.00000000  1
  Si  Si36  1  0.74134800  0.83322900  0.84356400  1
  Si  Si37  1  0.00000000  0.00000000  0.00000000  1
  Si  Si38  1  0.74134800  0.16677100  0.15643600  1
  Si  Si39  1  0.25865200  0.83322900  0.15643600  1
  Si  Si40  1  0.00000000  0.71711300  0.11658400  1
  Si  Si41  1  0.67751800  0.50000000  0.16847600  1
  Si  Si42  1  0.74134800  0.83322900  0.15643600  1
  Si  Si43  1  0.74134800  0.16677100  0.84356400  1
  Si  Si44  1  0.50000000  0.32589800  0.00000000  1
  Si  Si45  1  0.17751800  0.00000000  0.33152400  1
  Si  Si46  1  0.26761700  0.00000000  0.50000000  1
  Si  Si47  1  0.75865200  0.33322900  0.34356400  1
  Si  Si48  1  0.00000000  0.17410200  0.50000000  1
  Si  Si49  1  0.50000000  0.78288700  0.38341600  1
  Si  Si50  1  0.82248200  0.00000000  0.33152400  1
  Si  Si51  1  0.75865200  0.66677100  0.34356400  1
  Si  Si52  1  0.50000000  0.21711300  0.38341600  1
  Si  Si53  1  0.75865200  0.66677100  0.65643600  1
  Si  Si54  1  0.50000000  0.78288700  0.61658400  1
  Si  Si55  1  0.82248200  0.00000000  0.66847600  1
  Si  Si56  1  0.73238300  0.00000000  0.50000000  1
  Si  Si57  1  0.24134800  0.33322900  0.34356400  1
  Si  Si58  1  0.50000000  0.50000000  0.50000000  1
  Si  Si59  1  0.24134800  0.66677100  0.65643600  1
  Si  Si60  1  0.75865200  0.33322900  0.65643600  1
  Si  Si61  1  0.50000000  0.21711300  0.61658400  1
  Si  Si62  1  0.17751800  0.00000000  0.66847600  1
  Si  Si63  1  0.24134800  0.33322900  0.65643600  1
  Si  Si64  1  0.24134800  0.66677100  0.34356400  1
  Si  Si65  1  0.00000000  0.82589800  0.50000000  1
  Ni  Ni66  1  0.72360500  0.35242400  0.91598000  1
  Ni  Ni67  1  0.72360500  0.35242400  0.08402000  1
  Ni  Ni68  1  0.50000000  0.59960200  0.38722700  1
  Ni  Ni69  1  0.50000000  0.59960200  0.61277300  1
  Ni  Ni70  1  0.72360500  0.64757600  0.08402000  1
  Ni  Ni71  1  0.27639500  0.35242400  0.08402000  1
  Ni  Ni72  1  0.66755400  0.50000000  0.70980400  1
  Ni  Ni73  1  0.72360500  0.64757600  0.91598000  1
  Ni  Ni74  1  0.33244600  0.50000000  0.70980400  1
  Ni  Ni75  1  0.00000000  0.61834100  0.00000000  1
  Ni  Ni76  1  0.50000000  0.40039800  0.61277300  1
  Ni  Ni77  1  0.50000000  0.17577100  0.91953100  1
  Ni  Ni78  1  0.22013600  0.50000000  0.57468500  1
  Ni  Ni79  1  0.50000000  0.50000000  0.06878900  1
  Ni  Ni80  1  0.82991000  0.34391700  0.78216400  1
  Ni  Ni81  1  0.27639500  0.35242400  0.91598000  1
  Ni  Ni82  1  0.00000000  0.38165900  0.00000000  1
  Ni  Ni83  1  0.50000000  0.82422900  0.08046900  1
  Ni  Ni84  1  0.33244600  0.50000000  0.29019600  1
  Ni  Ni85  1  0.50000000  0.40039800  0.38722700  1
  Ni  Ni86  1  0.82991000  0.65608300  0.78216400  1
  Ni  Ni87  1  0.50000000  0.17577100  0.08046900  1
  Ni  Ni88  1  0.17009000  0.65608300  0.78216400  1
  Ni  Ni89  1  0.66755400  0.50000000  0.29019600  1
  Ni  Ni90  1  0.50000000  0.50000000  0.93121100  1
  Ni  Ni91  1  0.82991000  0.65608300  0.21783600  1
  Ni  Ni92  1  0.77986400  0.50000000  0.42531500  1
  Ni  Ni93  1  0.27639500  0.64757600  0.91598000  1
  Ni  Ni94  1  0.82991000  0.34391700  0.21783600  1
  Ni  Ni95  1  0.17009000  0.34391700  0.21783600  1
  Ni  Ni96  1  0.27639500  0.64757600  0.08402000  1
  Ni  Ni97  1  0.17009000  0.34391700  0.78216400  1
  Ni  Ni98  1  0.77986400  0.50000000  0.57468500  1
  Ni  Ni99  1  0.17009000  0.65608300  0.21783600  1
  Ni  Ni100  1  0.50000000  0.82422900  0.91953100  1
  Ni  Ni101  1  0.22013600  0.50000000  0.42531500  1
  Ni  Ni102  1  0.22360500  0.85242400  0.41598000  1
  Ni  Ni103  1  0.22360500  0.85242400  0.58402000  1
  Ni  Ni104  1  0.00000000  0.09960200  0.88722700  1
  Ni  Ni105  1  0.00000000  0.09960200  0.11277300  1
  Ni  Ni106  1  0.22360500  0.14757600  0.58402000  1
  Ni  Ni107  1  0.77639500  0.85242400  0.58402000  1
  Ni  Ni108  1  0.16755400  0.00000000  0.20980400  1
  Ni  Ni109  1  0.22360500  0.14757600  0.41598000  1
  Ni  Ni110  1  0.83244600  0.00000000  0.20980400  1
  Ni  Ni111  1  0.50000000  0.11834100  0.50000000  1
  Ni  Ni112  1  0.00000000  0.90039800  0.11277300  1
  Ni  Ni113  1  0.00000000  0.67577100  0.41953100  1
  Ni  Ni114  1  0.72013600  0.00000000  0.07468500  1
  Ni  Ni115  1  0.00000000  0.00000000  0.56878900  1
  Ni  Ni116  1  0.32991000  0.84391700  0.28216400  1
  Ni  Ni117  1  0.77639500  0.85242400  0.41598000  1
  Ni  Ni118  1  0.50000000  0.88165900  0.50000000  1
  Ni  Ni119  1  0.00000000  0.32422900  0.58046900  1
  Ni  Ni120  1  0.83244600  0.00000000  0.79019600  1
  Ni  Ni121  1  0.00000000  0.90039800  0.88722700  1
  Ni  Ni122  1  0.32991000  0.15608300  0.28216400  1
  Ni  Ni123  1  0.00000000  0.67577100  0.58046900  1
  Ni  Ni124  1  0.67009000  0.15608300  0.28216400  1
  Ni  Ni125  1  0.16755400  0.00000000  0.79019600  1
  Ni  Ni126  1  0.00000000  0.00000000  0.43121100  1
  Ni  Ni127  1  0.32991000  0.15608300  0.71783600  1
  Ni  Ni128  1  0.27986400  0.00000000  0.92531500  1
  Ni  Ni129  1  0.77639500  0.14757600  0.41598000  1
  Ni  Ni130  1  0.32991000  0.84391700  0.71783600  1
  Ni  Ni131  1  0.67009000  0.84391700  0.71783600  1
  Ni  Ni132  1  0.77639500  0.14757600  0.58402000  1
  Ni  Ni133  1  0.67009000  0.84391700  0.28216400  1
  Ni  Ni134  1  0.27986400  0.00000000  0.07468500  1
  Ni  Ni135  1  0.67009000  0.15608300  0.71783600  1
  Ni  Ni136  1  0.00000000  0.32422900  0.41953100  1
  Ni  Ni137  1  0.72013600  0.00000000  0.92531500  1
