# generated using pymatgen
data_Ni43(GeB4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39888584
_cell_length_b   7.39888584
_cell_length_c   36.24960194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni43(GeB4)3
_chemical_formula_sum   'Ni129 Ge9 B36'
_cell_volume   1718.56723107
_cell_formula_units_Z   3
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
  Ni  Ni0  1  0.32816200  0.99685400  0.33356700  1
  Ni  Ni1  1  0.66344300  0.66333000  0.49998300  1
  Ni  Ni2  1  0.43977000  0.21988500  0.38931800  1
  Ni  Ni3  1  0.77590900  0.88795500  0.55613000  1
  Ni  Ni4  1  0.32816200  0.33130800  0.33356700  1
  Ni  Ni5  1  0.66344300  0.00011200  0.49998300  1
  Ni  Ni6  1  0.78011500  0.21988500  0.38931800  1
  Ni  Ni7  1  0.11204500  0.88795500  0.55613000  1
  Ni  Ni8  1  0.66869200  0.99685400  0.33356700  1
  Ni  Ni9  1  0.99988800  0.66333000  0.49998300  1
  Ni  Ni10  1  0.33667000  0.00011200  0.49998300  1
  Ni  Ni11  1  0.00314600  0.33130800  0.33356700  1
  Ni  Ni12  1  0.88853100  0.11146900  0.44353500  1
  Ni  Ni13  1  0.22110400  0.77889600  0.61056300  1
  Ni  Ni14  1  0.22293800  0.11146900  0.44353500  1
  Ni  Ni15  1  0.55779100  0.77889600  0.61056300  1
  Ni  Ni16  1  0.88853100  0.77706200  0.44353500  1
  Ni  Ni17  1  0.22110400  0.44220900  0.61056300  1
  Ni  Ni18  1  0.33667000  0.33655700  0.49998300  1
  Ni  Ni19  1  0.00314600  0.67183800  0.33356700  1
  Ni  Ni20  1  0.66869200  0.67183800  0.33356700  1
  Ni  Ni21  1  0.99988800  0.33655700  0.49998300  1
  Ni  Ni22  1  0.78011500  0.56023000  0.38931800  1
  Ni  Ni23  1  0.11204500  0.22409100  0.55613000  1
  Ni  Ni24  1  0.66666700  0.33333300  0.33347600  1
  Ni  Ni25  1  0.00000000  0.00000000  0.49983700  1
  Ni  Ni26  1  0.64830600  0.82415300  0.39705600  1
  Ni  Ni27  1  0.98364800  0.49182400  0.56348500  1
  Ni  Ni28  1  0.17584700  0.82415300  0.39705600  1
  Ni  Ni29  1  0.50817600  0.49182400  0.56348500  1
  Ni  Ni30  1  0.33333300  0.66666700  0.47616300  1
  Ni  Ni31  1  0.66666700  0.33333300  0.64226600  1
  Ni  Ni32  1  0.17584700  0.35169400  0.39705600  1
  Ni  Ni33  1  0.50817600  0.01635200  0.56348500  1
  Ni  Ni34  1  0.01549100  0.50774600  0.43651400  1
  Ni  Ni35  1  0.34931900  0.17465900  0.60316200  1
  Ni  Ni36  1  0.49225400  0.50774600  0.43651400  1
  Ni  Ni37  1  0.82534100  0.17465900  0.60316200  1
  Ni  Ni38  1  0.33333300  0.66666700  0.35714400  1
  Ni  Ni39  1  0.66666700  0.33333300  0.52386100  1
  Ni  Ni40  1  0.49225400  0.98450900  0.43651400  1
  Ni  Ni41  1  0.82534100  0.65068100  0.60316200  1
  Ni  Ni42  1  0.00000000  0.00000000  0.37495900  1
  Ni  Ni43  1  0.99482900  0.33018800  0.66690000  1
  Ni  Ni44  1  0.33010900  0.99666400  0.83331600  1
  Ni  Ni45  1  0.10643700  0.55321800  0.72265100  1
  Ni  Ni46  1  0.44257600  0.22128800  0.88946400  1
  Ni  Ni47  1  0.99482900  0.66464100  0.66690000  1
  Ni  Ni48  1  0.33010900  0.33344600  0.83331600  1
  Ni  Ni49  1  0.44678200  0.55321800  0.72265100  1
  Ni  Ni50  1  0.77871200  0.22128800  0.88946400  1
  Ni  Ni51  1  0.33535900  0.33018800  0.66690000  1
  Ni  Ni52  1  0.66655400  0.99666400  0.83331600  1
  Ni  Ni53  1  0.00333600  0.33344600  0.83331600  1
  Ni  Ni54  1  0.66981200  0.66464100  0.66690000  1
  Ni  Ni55  1  0.55519800  0.44480200  0.77686800  1
  Ni  Ni56  1  0.88777100  0.11222900  0.94389600  1
  Ni  Ni57  1  0.88960500  0.44480200  0.77686800  1
  Ni  Ni58  1  0.22445800  0.11222900  0.94389600  1
  Ni  Ni59  1  0.55519800  0.11039500  0.77686800  1
  Ni  Ni60  1  0.88777100  0.77554200  0.94389600  1
  Ni  Ni61  1  0.00333600  0.66989100  0.83331600  1
  Ni  Ni62  1  0.66981200  0.00517100  0.66690000  1
  Ni  Ni63  1  0.33535900  0.00517100  0.66690000  1
  Ni  Ni64  1  0.66655400  0.66989100  0.83331600  1
  Ni  Ni65  1  0.44678200  0.89356300  0.72265100  1
  Ni  Ni66  1  0.77871200  0.55742400  0.88946400  1
  Ni  Ni67  1  0.33333300  0.66666700  0.66680900  1
  Ni  Ni68  1  0.66666700  0.33333300  0.83317100  1
  Ni  Ni69  1  0.31497300  0.15748600  0.73038900  1
  Ni  Ni70  1  0.65031500  0.82515700  0.89681800  1
  Ni  Ni71  1  0.84251400  0.15748600  0.73038900  1
  Ni  Ni72  1  0.17484300  0.82515700  0.89681800  1
  Ni  Ni73  1  0.00000000  0.00000000  0.80949600  1
  Ni  Ni74  1  0.33333300  0.66666700  0.97559900  1
  Ni  Ni75  1  0.84251400  0.68502700  0.73038900  1
  Ni  Ni76  1  0.17484300  0.34968500  0.89681800  1
  Ni  Ni77  1  0.68215800  0.84107900  0.76984700  1
  Ni  Ni78  1  0.01598500  0.50799300  0.93649500  1
  Ni  Ni79  1  0.15892100  0.84107900  0.76984700  1
  Ni  Ni80  1  0.49200700  0.50799300  0.93649500  1
  Ni  Ni81  1  0.00000000  0.00000000  0.69047700  1
  Ni  Ni82  1  0.33333300  0.66666700  0.85719400  1
  Ni  Ni83  1  0.15892100  0.31784200  0.76984700  1
  Ni  Ni84  1  0.49200700  0.98401500  0.93649500  1
  Ni  Ni85  1  0.66666700  0.33333300  0.70829200  1
  Ni  Ni86  1  0.66149600  0.66352100  0.00023300  1
  Ni  Ni87  1  0.99677600  0.32999700  0.16664900  1
  Ni  Ni88  1  0.77310300  0.88655200  0.05598500  1
  Ni  Ni89  1  0.10924300  0.55462100  0.22279700  1
  Ni  Ni90  1  0.66149600  0.99797400  0.00023300  1
  Ni  Ni91  1  0.99677600  0.66677900  0.16664900  1
  Ni  Ni92  1  0.11344800  0.88655200  0.05598500  1
  Ni  Ni93  1  0.44537900  0.55462100  0.22279700  1
  Ni  Ni94  1  0.00202600  0.66352100  0.00023300  1
  Ni  Ni95  1  0.33322100  0.32999700  0.16664900  1
  Ni  Ni96  1  0.67000300  0.66677900  0.16664900  1
  Ni  Ni97  1  0.33647900  0.99797400  0.00023300  1
  Ni  Ni98  1  0.22186400  0.77813600  0.11020100  1
  Ni  Ni99  1  0.55443800  0.44556200  0.27723000  1
  Ni  Ni100  1  0.55627100  0.77813600  0.11020100  1
  Ni  Ni101  1  0.89112500  0.44556200  0.27723000  1
  Ni  Ni102  1  0.22186400  0.44372900  0.11020100  1
  Ni  Ni103  1  0.55443800  0.10887500  0.27723000  1
  Ni  Ni104  1  0.67000300  0.00322400  0.16664900  1
  Ni  Ni105  1  0.33647900  0.33850400  0.00023300  1
  Ni  Ni106  1  0.00202600  0.33850400  0.00023300  1
  Ni  Ni107  1  0.33322100  0.00322400  0.16664900  1
  Ni  Ni108  1  0.11344800  0.22689700  0.05598500  1
  Ni  Ni109  1  0.44537900  0.89075700  0.22279700  1
  Ni  Ni110  1  0.00000000  0.00000000  0.00014300  1
  Ni  Ni111  1  0.33333300  0.66666700  0.16650400  1
  Ni  Ni112  1  0.98164000  0.49082000  0.06372300  1
  Ni  Ni113  1  0.31698100  0.15849100  0.23015200  1
  Ni  Ni114  1  0.50918000  0.49082000  0.06372300  1
  Ni  Ni115  1  0.84150900  0.15849100  0.23015200  1
  Ni  Ni116  1  0.66666700  0.33333300  0.14283000  1
  Ni  Ni117  1  0.00000000  0.00000000  0.30893300  1
  Ni  Ni118  1  0.50918000  0.01836000  0.06372300  1
  Ni  Ni119  1  0.84150900  0.68301900  0.23015200  1
  Ni  Ni120  1  0.34882500  0.17441200  0.10318000  1
  Ni  Ni121  1  0.68265200  0.84132600  0.26982900  1
  Ni  Ni122  1  0.82558800  0.17441200  0.10318000  1
  Ni  Ni123  1  0.15867400  0.84132600  0.26982900  1
  Ni  Ni124  1  0.66666700  0.33333300  0.02381100  1
  Ni  Ni125  1  0.00000000  0.00000000  0.19052700  1
  Ni  Ni126  1  0.82558800  0.65117500  0.10318000  1
  Ni  Ni127  1  0.15867400  0.31734800  0.26982900  1
  Ni  Ni128  1  0.33333300  0.66666700  0.04162600  1
  Ge  Ge129  1  0.33333300  0.66666700  0.54167100  1
  Ge  Ge130  1  0.66666700  0.33333300  0.45837700  1
  Ge  Ge131  1  0.00000000  0.00000000  0.62504000  1
  Ge  Ge132  1  0.00000000  0.00000000  0.87500500  1
  Ge  Ge133  1  0.33333300  0.66666700  0.79171100  1
  Ge  Ge134  1  0.66666700  0.33333300  0.95837400  1
  Ge  Ge135  1  0.66666700  0.33333300  0.20833800  1
  Ge  Ge136  1  0.00000000  0.00000000  0.12504400  1
  Ge  Ge137  1  0.33333300  0.66666700  0.29170700  1
  B  B138  1  0.48419200  0.51580800  0.37893900  1
  B  B139  1  0.81770700  0.18229300  0.54550500  1
  B  B140  1  0.63564300  0.81782100  0.45426500  1
  B  B141  1  0.96813800  0.48406900  0.62127500  1
  B  B142  1  0.48419200  0.96838500  0.37893900  1
  B  B143  1  0.81770700  0.63541300  0.54550500  1
  B  B144  1  0.18217900  0.81782100  0.45426500  1
  B  B145  1  0.51593100  0.48406900  0.62127500  1
  B  B146  1  0.03161500  0.51580800  0.37893900  1
  B  B147  1  0.36458700  0.18229300  0.54550500  1
  B  B148  1  0.18217900  0.36435700  0.45426500  1
  B  B149  1  0.51593100  0.03186200  0.62127500  1
  B  B150  1  0.15085900  0.84914100  0.71227300  1
  B  B151  1  0.48437300  0.51562700  0.87883900  1
  B  B152  1  0.30230900  0.15115500  0.78759800  1
  B  B153  1  0.63480500  0.81740200  0.95460800  1
  B  B154  1  0.15085900  0.30171800  0.71227300  1
  B  B155  1  0.48437300  0.96874700  0.87883900  1
  B  B156  1  0.84884500  0.15115500  0.78759800  1
  B  B157  1  0.18259800  0.81740200  0.95460800  1
  B  B158  1  0.69828200  0.84914100  0.71227300  1
  B  B159  1  0.03125300  0.51562700  0.87883900  1
  B  B160  1  0.84884500  0.69769100  0.78759800  1
  B  B161  1  0.18259800  0.36519500  0.95460800  1
  B  B162  1  0.81752600  0.18247400  0.04560600  1
  B  B163  1  0.15104000  0.84896000  0.21217200  1
  B  B164  1  0.96897600  0.48448800  0.12093100  1
  B  B165  1  0.30147100  0.15073600  0.28794100  1
  B  B166  1  0.81752600  0.63505200  0.04560600  1
  B  B167  1  0.15104000  0.30208000  0.21217200  1
  B  B168  1  0.51551200  0.48448800  0.12093100  1
  B  B169  1  0.84926400  0.15073600  0.28794100  1
  B  B170  1  0.36494800  0.18247400  0.04560600  1
  B  B171  1  0.69792000  0.84896000  0.21217200  1
  B  B172  1  0.51551200  0.03102400  0.12093100  1
  B  B173  1  0.84926400  0.69852900  0.28794100  1
