# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91344831
_cell_length_b   4.70826351
_cell_length_c   47.48613859
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.62966958
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1855.8255567
_cell_formula_units_Z   78
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  0.819560  0.932246  0.277054  1
  Ni  Ni2  1  0.102629  0.865800  0.287669  1
  Ni  Ni3  1  0.384452  0.808851  0.298841  1
  Ni  Ni4  1  0.891314  0.382179  0.286028  1
  Ni  Ni5  1  0.170984  0.323437  0.297049  1
  Ni  Ni6  1  0.453647  0.265785  0.307835  1
  Ni  Ni7  1  0.662648  0.756412  0.310759  1
  Ni  Ni8  1  0.943129  0.706630  0.322289  1
  Ni  Ni9  1  0.223549  0.649731  0.333366  1
  Ni  Ni10  1  0.730006  0.215973  0.320454  1
  Ni  Ni11  1  0.010149  0.159438  0.331328  1
  Ni  Ni12  1  0.290553  0.103939  0.342541  1
  Ni  Ni13  1  0.501952  0.594688  0.344974  1
  Ni  Ni14  1  0.782973  0.540320  0.356348  1
  Ni  Ni15  1  0.063226  0.483333  0.367722  1
  Ni  Ni16  1  0.569101  0.048747  0.354296  1
  Ni  Ni17  1  0.849439  0.994206  0.365920  1
  Ni  Ni18  1  0.129682  0.938455  0.377228  1
  Ni  Ni19  1  0.342345  0.428295  0.379251  1
  Ni  Ni20  1  0.622177  0.373610  0.390745  1
  Ni  Ni21  1  0.902231  0.318551  0.402322  1
  Ni  Ni22  1  0.409112  0.883374  0.388794  1
  Ni  Ni23  1  0.689028  0.828068  0.400326  1
  Ni  Ni24  1  0.969201  0.772783  0.411793  1
  Ni  Ni25  1  0.181943  0.263102  0.413833  1
  Ni  Ni26  1  0.461776  0.207986  0.425326  1
  Ni  Ni27  1  0.741691  0.152809  0.436827  1
  Ni  Ni28  1  0.248966  0.717563  0.423304  1
  Ni  Ni29  1  0.528833  0.662344  0.434822  1
  Ni  Ni30  1  0.808735  0.607284  0.446342  1
  Ni  Ni31  1  0.021534  0.097530  0.448366  1
  Ni  Ni32  1  0.301411  0.042299  0.459869  1
  Ni  Ni33  1  0.581281  0.987150  0.471374  1
  Ni  Ni34  1  0.088585  0.552037  0.457850  1
  Ni  Ni35  1  0.368449  0.496804  0.469357  1
  Ni  Ni36  1  0.648331  0.441631  0.480869  1
  Ni  Ni37  1  0.861126  0.931989  0.482897  1
  Ni  Ni38  1  0.141006  0.876756  0.494408  1
  Ni  Ni39  1  0.420884  0.821525  0.505914  1
  Ni  Ni40  1  0.928181  0.386477  0.492390  1
  Ni  Ni41  1  0.208059  0.331247  0.503895  1
  Ni  Ni42  1  0.487939  0.276014  0.515406  1
  Ni  Ni43  1  0.700734  0.766372  0.517434  1
  Ni  Ni44  1  0.980616  0.711198  0.528947  1
  Ni  Ni45  1  0.260480  0.655965  0.540454  1
  Ni  Ni46  1  0.767784  0.220852  0.526929  1
  Ni  Ni47  1  0.047654  0.165703  0.538435  1
  Ni  Ni48  1  0.327531  0.110473  0.549938  1
  Ni  Ni49  1  0.540330  0.600719  0.551962  1
  Ni  Ni50  1  0.820232  0.545659  0.563482  1
  Ni  Ni51  1  0.100099  0.490440  0.575000  1
  Ni  Ni52  1  0.607374  0.055193  0.561477  1
  Ni  Ni53  1  0.887289  1.000016  0.572978  1
  Ni  Ni54  1  0.167122  0.944900  0.584470  1
  Ni  Ni55  1  0.379864  0.435219  0.586511  1
  Ni  Ni56  1  0.660037  0.379934  0.597977  1
  Ni  Ni57  1  0.939953  0.324629  0.609509  1
  Ni  Ni58  1  0.446834  0.889451  0.595981  1
  Ni  Ni59  1  0.726888  0.834392  0.607559  1
  Ni  Ni60  1  0.006720  0.779707  0.619053  1
  Ni  Ni61  1  0.219383  0.269548  0.621075  1
  Ni  Ni62  1  0.499626  0.213796  0.632384  1
  Ni  Ni63  1  0.779964  0.159256  0.644008  1
  Ni  Ni64  1  0.285839  0.724669  0.630582  1
  Ni  Ni65  1  0.566092  0.667682  0.641956  1
  Ni  Ni66  1  0.847113  0.613314  0.653330  1
  Ni  Ni67  1  0.058512  0.104064  0.655763  1
  Ni  Ni68  1  0.338916  0.048564  0.666976  1
  Ni  Ni69  1  0.619059  0.992029  0.677849  1
  Ni  Ni70  1  0.125516  0.558271  0.664938  1
  Ni  Ni71  1  0.405936  0.501372  0.676015  1
  Ni  Ni72  1  0.686417  0.451591  0.687545  1
  Ni  Ni73  1  0.895418  0.942217  0.690468  1
  Ni  Ni74  1  0.178081  0.884565  0.701255  1
  Ni  Ni75  1  0.457751  0.825824  0.712276  1
  Ni  Ni76  1  0.964613  0.399151  0.699462  1
  Ni  Ni77  1  0.246436  0.342203  0.710635  1
  Ni  Ni78  1  0.529505  0.275756  0.721249  1
