# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96944651
_cell_length_b   7.84691119
_cell_length_c   47.09147783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni72
_cell_volume   1742.08897436
_cell_formula_units_Z   72
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  0.950410  0.397975  0.274469  1
  Ni  Ni2  1  0.168138  0.833436  0.297831  1
  Ni  Ni3  1  0.284023  0.557753  0.311120  1
  Ni  Ni4  1  0.063339  0.119053  0.286080  1
  Ni  Ni5  1  0.776560  0.557751  0.311128  1
  Ni  Ni6  1  0.558592  0.119105  0.286073  1
  Ni  Ni7  1  0.891509  0.280226  0.324304  1
  Ni  Ni8  1  0.669390  0.835948  0.297599  1
  Ni  Ni9  1  0.391850  0.280905  0.323812  1
  Ni  Ni10  1  0.614463  0.726162  0.348816  1
  Ni  Ni11  1  0.725447  0.448108  0.361323  1
  Ni  Ni12  1  0.502382  1.001870  0.336109  1
  Ni  Ni13  1  0.225399  0.448108  0.361321  1
  Ni  Ni14  1  0.002240  1.001859  0.336112  1
  Ni  Ni15  1  0.336113  0.169539  0.373575  1
  Ni  Ni16  1  0.113850  0.724922  0.348540  1
  Ni  Ni17  1  0.835910  0.169134  0.373748  1
  Ni  Ni18  1  0.058355  0.614055  0.398719  1
  Ni  Ni19  1  0.169296  0.335889  0.411182  1
  Ni  Ni20  1  0.947475  0.891669  0.386171  1
  Ni  Ni21  1  0.669205  0.335888  0.411183  1
  Ni  Ni22  1  0.446870  0.891673  0.386171  1
  Ni  Ni23  1  0.780282  0.057974  0.423685  1
  Ni  Ni24  1  0.558341  0.614037  0.398756  1
  Ni  Ni25  1  0.280345  0.058101  0.423654  1
  Ni  Ni26  1  0.502414  0.502294  0.448689  1
  Ni  Ni27  1  0.613449  0.224404  0.461171  1
  Ni  Ni28  1  0.391384  0.780271  0.436200  1
  Ni  Ni29  1  0.113463  0.224404  0.461171  1
  Ni  Ni30  1  0.891451  0.780270  0.436200  1
  Ni  Ni31  1  0.224529  0.946576  0.473676  1
  Ni  Ni32  1  0.002413  0.502292  0.448679  1
  Ni  Ni33  1  0.724521  0.946559  0.473682  1
  Ni  Ni34  1  0.946600  0.390773  0.498668  1
  Ni  Ni35  1  0.057658  0.112895  0.511165  1
  Ni  Ni36  1  0.835562  0.668650  0.486175  1
  Ni  Ni37  1  0.557638  0.112895  0.511165  1
  Ni  Ni38  1  0.335542  0.668650  0.486175  1
  Ni  Ni39  1  0.668679  0.834987  0.523659  1
  Ni  Ni40  1  0.446600  0.390773  0.498672  1
  Ni  Ni41  1  0.168671  0.834970  0.523664  1
  Ni  Ni42  1  0.390787  0.279254  0.548662  1
  Ni  Ni43  1  0.501749  1.001276  0.561140  1
  Ni  Ni44  1  0.279737  0.557142  0.536169  1
  Ni  Ni45  1  1.001816  1.001275  0.561140  1
  Ni  Ni46  1  0.779751  0.557142  0.536169  1
  Ni  Ni47  1  0.112855  0.723445  0.573687  1
  Ni  Ni48  1  0.890786  0.279251  0.548651  1
  Ni  Ni49  1  0.612918  0.723571  0.573655  1
  Ni  Ni50  1  0.834859  0.167509  0.598584  1
  Ni  Ni51  1  0.946330  0.889872  0.611170  1
  Ni  Ni52  1  0.723995  0.445658  0.586157  1
  Ni  Ni53  1  0.445725  0.889876  0.611169  1
  Ni  Ni54  1  0.223904  0.445657  0.586158  1
  Ni  Ni55  1  0.557291  0.612412  0.623593  1
  Ni  Ni56  1  0.334845  0.167490  0.598621  1
  Ni  Ni57  1  0.057087  0.612007  0.623765  1
  Ni  Ni58  1  0.279350  0.056623  0.648801  1
  Ni  Ni59  1  0.390960  0.779686  0.661228  1
  Ni  Ni60  1  0.167801  0.333438  0.636020  1
  Ni  Ni61  1  0.890818  0.779675  0.661231  1
  Ni  Ni62  1  0.667753  0.333438  0.636017  1
  Ni  Ni63  1  1.001350  0.500641  0.673529  1
  Ni  Ni64  1  0.778737  0.055384  0.648524  1
  Ni  Ni65  1  0.501691  0.501320  0.673037  1
  Ni  Ni66  1  0.723810  0.945597  0.699741  1
  Ni  Ni67  1  0.834608  0.662441  0.711267  1
  Ni  Ni68  1  0.616640  0.223795  0.686212  1
  Ni  Ni69  1  0.329861  0.662493  0.711261  1
  Ni  Ni70  1  0.109178  0.223792  0.686220  1
  Ni  Ni71  1  0.442790  0.383571  0.722871  1
  Ni  Ni72  1  0.225062  0.948110  0.699509  1
