# generated using pymatgen
data_Ti13Si31Ni40
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.18306586
_cell_length_b   17.18306586
_cell_length_c   7.88108331
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti13Si31Ni40
_chemical_formula_sum   'Ti26 Si62 Ni80'
_cell_volume   2015.19863103
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.32848900  1
  Ti  Ti1  1  0.00000000  0.00000000  0.67151100  1
  Ti  Ti2  1  0.27016300  0.00000000  0.30547200  1
  Ti  Ti3  1  0.72983700  0.00000000  0.30547200  1
  Ti  Ti4  1  0.00000000  0.27016300  0.30547200  1
  Ti  Ti5  1  0.72983700  0.72983700  0.30547200  1
  Ti  Ti6  1  0.27016300  0.27016300  0.30547200  1
  Ti  Ti7  1  0.00000000  0.72983700  0.30547200  1
  Ti  Ti8  1  0.27016300  0.00000000  0.69452800  1
  Ti  Ti9  1  0.72983700  0.72983700  0.69452800  1
  Ti  Ti10  1  0.00000000  0.27016300  0.69452800  1
  Ti  Ti11  1  0.00000000  0.72983700  0.69452800  1
  Ti  Ti12  1  0.27016300  0.27016300  0.69452800  1
  Ti  Ti13  1  0.72983700  0.00000000  0.69452800  1
  Ti  Ti14  1  0.57688400  0.15376900  0.50000000  1
  Ti  Ti15  1  0.42311600  0.84623100  0.50000000  1
  Ti  Ti16  1  0.84623100  0.42311600  0.50000000  1
  Ti  Ti17  1  0.57688400  0.42311600  0.50000000  1
  Ti  Ti18  1  0.42311600  0.57688400  0.50000000  1
  Ti  Ti19  1  0.15376900  0.57688400  0.50000000  1
  Ti  Ti20  1  0.24378700  0.48757400  0.00000000  1
  Ti  Ti21  1  0.75621300  0.51242600  0.00000000  1
  Ti  Ti22  1  0.51242600  0.75621300  0.00000000  1
  Ti  Ti23  1  0.24378700  0.75621300  0.00000000  1
  Ti  Ti24  1  0.75621300  0.24378700  0.00000000  1
  Ti  Ti25  1  0.48757400  0.24378700  0.00000000  1
  Si  Si26  1  0.60562200  0.21124300  0.18226700  1
  Si  Si27  1  0.39437800  0.78875700  0.18226700  1
  Si  Si28  1  0.78875700  0.39437800  0.18226700  1
  Si  Si29  1  0.60562200  0.39437800  0.18226700  1
  Si  Si30  1  0.39437800  0.60562200  0.18226700  1
  Si  Si31  1  0.21124300  0.60562200  0.18226700  1
  Si  Si32  1  0.39437800  0.78875700  0.81773300  1
  Si  Si33  1  0.39437800  0.60562200  0.81773300  1
  Si  Si34  1  0.21124300  0.60562200  0.81773300  1
  Si  Si35  1  0.78875700  0.39437800  0.81773300  1
  Si  Si36  1  0.60562200  0.39437800  0.81773300  1
  Si  Si37  1  0.60562200  0.21124300  0.81773300  1
  Si  Si38  1  0.17784200  0.35568300  0.23437400  1
  Si  Si39  1  0.82215800  0.64431700  0.23437400  1
  Si  Si40  1  0.64431700  0.82215800  0.23437400  1
  Si  Si41  1  0.17784200  0.82215800  0.23437400  1
  Si  Si42  1  0.82215800  0.17784200  0.23437400  1
  Si  Si43  1  0.35568300  0.17784200  0.23437400  1
  Si  Si44  1  0.82215800  0.64431700  0.76562600  1
  Si  Si45  1  0.82215800  0.17784200  0.76562600  1
  Si  Si46  1  0.35568300  0.17784200  0.76562600  1
  Si  Si47  1  0.64431700  0.82215800  0.76562600  1
  Si  Si48  1  0.17784200  0.82215800  0.76562600  1
  Si  Si49  1  0.17784200  0.35568300  0.76562600  1
  Si  Si50  1  0.12799900  0.41216500  0.50000000  1
  Si  Si51  1  0.87200100  0.58783500  0.50000000  1
  Si  Si52  1  0.58783500  0.71583400  0.50000000  1
  Si  Si53  1  0.28416600  0.87200100  0.50000000  1
  Si  Si54  1  0.71583400  0.12799900  0.50000000  1
  Si  Si55  1  0.41216500  0.28416600  0.50000000  1
  Si  Si56  1  0.71583400  0.58783500  0.50000000  1
  Si  Si57  1  0.87200100  0.28416600  0.50000000  1
  Si  Si58  1  0.41216500  0.12799900  0.50000000  1
  Si  Si59  1  0.58783500  0.87200100  0.50000000  1
  Si  Si60  1  0.12799900  0.71583400  0.50000000  1
  Si  Si61  1  0.28416600  0.41216500  0.50000000  1
  Si  Si62  1  0.50000000  0.00000000  0.26031500  1
  Si  Si63  1  0.00000000  0.50000000  0.26031500  1
  Si  Si64  1  0.50000000  0.50000000  0.26031500  1
  Si  Si65  1  0.50000000  0.00000000  0.73968500  1
  Si  Si66  1  0.50000000  0.50000000  0.73968500  1
  Si  Si67  1  0.00000000  0.50000000  0.73968500  1
  Si  Si68  1  0.38567200  0.00000000  0.00000000  1
  Si  Si69  1  0.61432800  0.00000000  0.00000000  1
  Si  Si70  1  0.00000000  0.38567200  0.00000000  1
  Si  Si71  1  0.61432800  0.61432800  0.00000000  1
  Si  Si72  1  0.38567200  0.38567200  0.00000000  1
  Si  Si73  1  0.00000000  0.61432800  0.00000000  1
  Si  Si74  1  0.16002600  0.00000000  0.00000000  1
  Si  Si75  1  0.83997400  0.00000000  0.00000000  1
  Si  Si76  1  0.00000000  0.16002600  0.00000000  1
  Si  Si77  1  0.83997400  0.83997400  0.00000000  1
  Si  Si78  1  0.16002600  0.16002600  0.00000000  1
  Si  Si79  1  0.00000000  0.83997400  0.00000000  1
  Si  Si80  1  0.14462500  0.00000000  0.50000000  1
  Si  Si81  1  0.85537500  0.00000000  0.50000000  1
  Si  Si82  1  0.00000000  0.14462500  0.50000000  1
  Si  Si83  1  0.85537500  0.85537500  0.50000000  1
  Si  Si84  1  0.14462500  0.14462500  0.50000000  1
  Si  Si85  1  0.00000000  0.85537500  0.50000000  1
  Si  Si86  1  0.33333300  0.66666700  0.50000000  1
  Si  Si87  1  0.66666700  0.33333300  0.50000000  1
  Ni  Ni88  1  0.33333300  0.66666700  0.00000000  1
  Ni  Ni89  1  0.66666700  0.33333300  0.00000000  1
  Ni  Ni90  1  0.08458500  0.31879400  0.00000000  1
  Ni  Ni91  1  0.91541500  0.68120600  0.00000000  1
  Ni  Ni92  1  0.68120600  0.76579200  0.00000000  1
  Ni  Ni93  1  0.23420800  0.91541500  0.00000000  1
  Ni  Ni94  1  0.76579200  0.08458500  0.00000000  1
  Ni  Ni95  1  0.31879400  0.23420800  0.00000000  1
  Ni  Ni96  1  0.76579200  0.68120600  0.00000000  1
  Ni  Ni97  1  0.91541500  0.23420800  0.00000000  1
  Ni  Ni98  1  0.31879400  0.08458500  0.00000000  1
  Ni  Ni99  1  0.68120600  0.91541500  0.00000000  1
  Ni  Ni100  1  0.08458500  0.76579200  0.00000000  1
  Ni  Ni101  1  0.23420800  0.31879400  0.00000000  1
  Ni  Ni102  1  0.08930700  0.17861400  0.23868500  1
  Ni  Ni103  1  0.91069300  0.82138600  0.23868500  1
  Ni  Ni104  1  0.82138600  0.91069300  0.23868500  1
  Ni  Ni105  1  0.08930700  0.91069300  0.23868500  1
  Ni  Ni106  1  0.91069300  0.08930700  0.23868500  1
  Ni  Ni107  1  0.17861400  0.08930700  0.23868500  1
  Ni  Ni108  1  0.91069300  0.82138600  0.76131500  1
  Ni  Ni109  1  0.91069300  0.08930700  0.76131500  1
  Ni  Ni110  1  0.17861400  0.08930700  0.76131500  1
  Ni  Ni111  1  0.82138600  0.91069300  0.76131500  1
  Ni  Ni112  1  0.08930700  0.91069300  0.76131500  1
  Ni  Ni113  1  0.08930700  0.17861400  0.76131500  1
  Ni  Ni114  1  0.10544900  0.44664400  0.22442300  1
  Ni  Ni115  1  0.89455100  0.55335600  0.22442300  1
  Ni  Ni116  1  0.55335600  0.65880500  0.22442300  1
  Ni  Ni117  1  0.34119500  0.89455100  0.22442300  1
  Ni  Ni118  1  0.65880500  0.10544900  0.22442300  1
  Ni  Ni119  1  0.44664400  0.34119500  0.22442300  1
  Ni  Ni120  1  0.65880500  0.55335600  0.77557700  1
  Ni  Ni121  1  0.89455100  0.34119500  0.77557700  1
  Ni  Ni122  1  0.44664400  0.10544900  0.77557700  1
  Ni  Ni123  1  0.55335600  0.89455100  0.77557700  1
  Ni  Ni124  1  0.10544900  0.65880500  0.77557700  1
  Ni  Ni125  1  0.34119500  0.44664400  0.77557700  1
  Ni  Ni126  1  0.89455100  0.55335600  0.77557700  1
  Ni  Ni127  1  0.10544900  0.44664400  0.77557700  1
  Ni  Ni128  1  0.44664400  0.34119500  0.77557700  1
  Ni  Ni129  1  0.65880500  0.10544900  0.77557700  1
  Ni  Ni130  1  0.34119500  0.89455100  0.77557700  1
  Ni  Ni131  1  0.55335600  0.65880500  0.77557700  1
  Ni  Ni132  1  0.34119500  0.44664400  0.22442300  1
  Ni  Ni133  1  0.10544900  0.65880500  0.22442300  1
  Ni  Ni134  1  0.55335600  0.89455100  0.22442300  1
  Ni  Ni135  1  0.44664400  0.10544900  0.22442300  1
  Ni  Ni136  1  0.89455100  0.34119500  0.22442300  1
  Ni  Ni137  1  0.65880500  0.55335600  0.22442300  1
  Ni  Ni138  1  0.54339300  0.08678600  0.00000000  1
  Ni  Ni139  1  0.45660700  0.91321400  0.00000000  1
  Ni  Ni140  1  0.91321400  0.45660700  0.00000000  1
  Ni  Ni141  1  0.54339300  0.45660700  0.00000000  1
  Ni  Ni142  1  0.45660700  0.54339300  0.00000000  1
  Ni  Ni143  1  0.08678600  0.54339300  0.00000000  1
  Ni  Ni144  1  0.41940600  0.00000000  0.50000000  1
  Ni  Ni145  1  0.58059400  0.00000000  0.50000000  1
  Ni  Ni146  1  0.00000000  0.41940600  0.50000000  1
  Ni  Ni147  1  0.58059400  0.58059400  0.50000000  1
  Ni  Ni148  1  0.41940600  0.41940600  0.50000000  1
  Ni  Ni149  1  0.00000000  0.58059400  0.50000000  1
  Ni  Ni150  1  0.26229800  0.52459600  0.34478900  1
  Ni  Ni151  1  0.73770200  0.47540400  0.34478900  1
  Ni  Ni152  1  0.47540400  0.73770200  0.34478900  1
  Ni  Ni153  1  0.26229800  0.73770200  0.34478900  1
  Ni  Ni154  1  0.73770200  0.26229800  0.34478900  1
  Ni  Ni155  1  0.52459600  0.26229800  0.34478900  1
  Ni  Ni156  1  0.73770200  0.47540400  0.65521100  1
  Ni  Ni157  1  0.73770200  0.26229800  0.65521100  1
  Ni  Ni158  1  0.52459600  0.26229800  0.65521100  1
  Ni  Ni159  1  0.47540400  0.73770200  0.65521100  1
  Ni  Ni160  1  0.26229800  0.73770200  0.65521100  1
  Ni  Ni161  1  0.26229800  0.52459600  0.65521100  1
  Ni  Ni162  1  0.14229300  0.28458600  0.50000000  1
  Ni  Ni163  1  0.85770700  0.71541400  0.50000000  1
  Ni  Ni164  1  0.71541400  0.85770700  0.50000000  1
  Ni  Ni165  1  0.14229300  0.85770700  0.50000000  1
  Ni  Ni166  1  0.85770700  0.14229300  0.50000000  1
  Ni  Ni167  1  0.28458600  0.14229300  0.50000000  1
