# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67512625
_cell_length_b   7.67215895
_cell_length_c   47.92912857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni128
_cell_volume   2765.27462995
_cell_formula_units_Z   128
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  Ni1  1  0.979997  0.980776  0.275259  1
  Ni  Ni2  1  0.479997  0.480776  0.275259  1
  Ni  Ni3  1  0.399040  0.899772  0.300534  1
  Ni  Ni4  1  0.899040  0.399772  0.300534  1
  Ni  Ni5  1  0.649040  0.649772  0.300534  1
  Ni  Ni6  1  0.149040  0.149772  0.300534  1
  Ni  Ni7  1  0.229997  0.730776  0.275259  1
  Ni  Ni8  1  0.729997  0.230776  0.275259  1
  Ni  Ni9  1  0.943083  0.693812  0.287657  1
  Ni  Ni10  1  0.443083  0.193812  0.287657  1
  Ni  Ni11  1  0.357422  0.608179  0.315867  1
  Ni  Ni12  1  0.857422  0.108179  0.315867  1
  Ni  Ni13  1  0.693083  0.943812  0.287657  1
  Ni  Ni14  1  0.193083  0.443812  0.287657  1
  Ni  Ni15  1  0.107422  0.858179  0.315867  1
  Ni  Ni16  1  0.607422  0.358179  0.315867  1
  Ni  Ni17  1  0.815025  0.815774  0.329455  1
  Ni  Ni18  1  0.315025  0.315774  0.329455  1
  Ni  Ni19  1  0.231346  0.732115  0.359514  1
  Ni  Ni20  1  0.731346  0.232115  0.359514  1
  Ni  Ni21  1  0.481346  0.482115  0.359514  1
  Ni  Ni22  1  0.981346  0.982115  0.359514  1
  Ni  Ni23  1  0.065025  0.565774  0.329455  1
  Ni  Ni24  1  0.565025  0.065774  0.329455  1
  Ni  Ni25  1  0.773591  0.524345  0.344026  1
  Ni  Ni26  1  0.273591  0.024345  0.344026  1
  Ni  Ni27  1  0.189264  0.440036  0.374075  1
  Ni  Ni28  1  0.689264  0.940036  0.374075  1
  Ni  Ni29  1  0.523591  0.774345  0.344026  1
  Ni  Ni30  1  0.023591  0.274345  0.344026  1
  Ni  Ni31  1  0.939264  0.690036  0.374075  1
  Ni  Ni32  1  0.439264  0.190036  0.374075  1
  Ni  Ni33  1  0.647734  0.648510  0.388849  1
  Ni  Ni34  1  0.147734  0.148510  0.388849  1
  Ni  Ni35  1  0.064510  0.565297  0.418524  1
  Ni  Ni36  1  0.564510  0.065297  0.418524  1
  Ni  Ni37  1  0.314510  0.315297  0.418524  1
  Ni  Ni38  1  0.814510  0.815297  0.418524  1
  Ni  Ni39  1  0.897734  0.398510  0.388849  1
  Ni  Ni40  1  0.397734  0.898510  0.388849  1
  Ni  Ni41  1  0.606127  0.356909  0.403798  1
  Ni  Ni42  1  0.106127  0.856909  0.403798  1
  Ni  Ni43  1  0.022950  0.273743  0.433300  1
  Ni  Ni44  1  0.522950  0.773743  0.433300  1
  Ni  Ni45  1  0.356127  0.606909  0.403798  1
  Ni  Ni46  1  0.856127  0.106909  0.403798  1
  Ni  Ni47  1  0.772950  0.523743  0.433300  1
  Ni  Ni48  1  0.272950  0.023743  0.433300  1
  Ni  Ni49  1  0.481329  0.482127  0.448130  1
  Ni  Ni50  1  0.981329  0.982127  0.448130  1
  Ni  Ni51  1  0.898067  0.398876  0.477718  1
  Ni  Ni52  1  0.398067  0.898876  0.477718  1
  Ni  Ni53  1  0.148067  0.148876  0.477718  1
  Ni  Ni54  1  0.648067  0.648876  0.477718  1
  Ni  Ni55  1  0.731329  0.232127  0.448130  1
  Ni  Ni56  1  0.231329  0.732127  0.448130  1
  Ni  Ni57  1  0.439686  0.190489  0.462924  1
  Ni  Ni58  1  0.939686  0.690489  0.462924  1
  Ni  Ni59  1  0.856446  0.107260  0.492522  1
  Ni  Ni60  1  0.356446  0.607260  0.492522  1
  Ni  Ni61  1  0.189686  0.440489  0.462924  1
  Ni  Ni62  1  0.689686  0.940489  0.462924  1
  Ni  Ni63  1  0.606446  0.357260  0.492522  1
  Ni  Ni64  1  0.106446  0.857260  0.492522  1
  Ni  Ni65  1  0.314815  0.315635  0.507323  1
  Ni  Ni66  1  0.814815  0.815635  0.507323  1
  Ni  Ni67  1  0.731575  0.232406  0.536922  1
  Ni  Ni68  1  0.231575  0.732406  0.536922  1
  Ni  Ni69  1  0.981575  0.982406  0.536922  1
  Ni  Ni70  1  0.481575  0.482406  0.536922  1
  Ni  Ni71  1  0.564815  0.065635  0.507323  1
  Ni  Ni72  1  0.064815  0.565635  0.507323  1
  Ni  Ni73  1  0.273193  0.024019  0.522127  1
  Ni  Ni74  1  0.773193  0.524019  0.522127  1
  Ni  Ni75  1  0.689932  0.940768  0.551715  1
  Ni  Ni76  1  0.189932  0.440768  0.551715  1
  Ni  Ni77  1  0.023193  0.274019  0.522127  1
  Ni  Ni78  1  0.523193  0.774019  0.522127  1
  Ni  Ni79  1  0.439932  0.190768  0.551715  1
  Ni  Ni80  1  0.939932  0.690768  0.551715  1
  Ni  Ni81  1  0.148311  0.149152  0.566546  1
  Ni  Ni82  1  0.648311  0.649152  0.566546  1
  Ni  Ni83  1  0.565134  0.065986  0.596048  1
  Ni  Ni84  1  0.065134  0.565986  0.596048  1
  Ni  Ni85  1  0.815134  0.815986  0.596048  1
  Ni  Ni86  1  0.315134  0.315986  0.596048  1
  Ni  Ni87  1  0.398311  0.899152  0.566546  1
  Ni  Ni88  1  0.898311  0.399152  0.566546  1
  Ni  Ni89  1  0.106751  0.857598  0.581322  1
  Ni  Ni90  1  0.606751  0.357598  0.581322  1
  Ni  Ni91  1  0.523527  0.774385  0.610997  1
  Ni  Ni92  1  0.023527  0.274385  0.610997  1
  Ni  Ni93  1  0.856751  0.107598  0.581322  1
  Ni  Ni94  1  0.356751  0.607598  0.581322  1
  Ni  Ni95  1  0.273527  0.024385  0.610997  1
  Ni  Ni96  1  0.773527  0.524385  0.610997  1
  Ni  Ni97  1  0.981997  0.982860  0.625770  1
  Ni  Ni98  1  0.481997  0.482860  0.625770  1
  Ni  Ni99  1  0.397670  0.898550  0.655820  1
  Ni  Ni100  1  0.897670  0.398550  0.655820  1
  Ni  Ni101  1  0.647670  0.648550  0.655820  1
  Ni  Ni102  1  0.147670  0.148550  0.655820  1
  Ni  Ni103  1  0.231997  0.732860  0.625770  1
  Ni  Ni104  1  0.731997  0.232860  0.625770  1
  Ni  Ni105  1  0.939915  0.690780  0.640331  1
  Ni  Ni106  1  0.439915  0.190780  0.640331  1
  Ni  Ni107  1  0.356236  0.607121  0.670391  1
  Ni  Ni108  1  0.856236  0.107121  0.670391  1
  Ni  Ni109  1  0.689915  0.940780  0.640331  1
  Ni  Ni110  1  0.189915  0.440780  0.640331  1
  Ni  Ni111  1  0.106236  0.857121  0.670391  1
  Ni  Ni112  1  0.606236  0.357121  0.670391  1
  Ni  Ni113  1  0.813838  0.814716  0.683979  1
  Ni  Ni114  1  0.313838  0.314716  0.683979  1
  Ni  Ni115  1  0.228178  0.729083  0.712189  1
  Ni  Ni116  1  0.728178  0.229083  0.712189  1
  Ni  Ni117  1  0.478178  0.479083  0.712189  1
  Ni  Ni118  1  0.978178  0.979083  0.712189  1
  Ni  Ni119  1  0.063838  0.564716  0.683979  1
  Ni  Ni120  1  0.563838  0.064716  0.683979  1
  Ni  Ni121  1  0.772220  0.523123  0.699312  1
  Ni  Ni122  1  0.272220  0.023123  0.699312  1
  Ni  Ni123  1  0.191264  0.442119  0.724586  1
  Ni  Ni124  1  0.691264  0.942119  0.724586  1
  Ni  Ni125  1  0.522220  0.773123  0.699312  1
  Ni  Ni126  1  0.022220  0.273123  0.699312  1
  Ni  Ni127  1  0.941264  0.692119  0.724586  1
  Ni  Ni128  1  0.441264  0.192119  0.724586  1
