# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47285523
_cell_length_b   12.64043752
_cell_length_c   47.11141175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni84
_cell_volume   2068.11605069
_cell_formula_units_Z   84
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  0.506788  0.542070  0.319973  1
  Ni  Ni2  1  0.506788  0.311934  0.280951  1
  Ni  Ni3  1  0.506788  0.927865  0.299791  1
  Ni  Ni4  1  1.006788  0.428683  0.298823  1
  Ni  Ni5  1  1.006788  0.042319  0.319728  1
  Ni  Ni6  1  1.006788  0.658975  0.340994  1
  Ni  Ni7  1  1.006788  0.619052  0.290643  1
  Ni  Ni8  1  1.006788  0.234504  0.310119  1
  Ni  Ni9  1  1.006788  0.849970  0.329637  1
  Ni  Ni10  1  0.506788  0.351051  0.331054  1
  Ni  Ni11  1  0.506788  0.120702  0.290130  1
  Ni  Ni12  1  0.506788  0.736348  0.308730  1
  Ni  Ni13  1  0.506788  0.388767  0.382737  1
  Ni  Ni14  1  0.506788  0.158130  0.341189  1
  Ni  Ni15  1  0.506788  0.773444  0.361203  1
  Ni  Ni16  1  1.006788  0.273451  0.361806  1
  Ni  Ni17  1  1.006788  0.888131  0.382065  1
  Ni  Ni18  1  1.006788  0.503782  0.403370  1
  Ni  Ni19  1  1.006788  0.466056  0.351186  1
  Ni  Ni20  1  1.006788  0.080629  0.371919  1
  Ni  Ni21  1  1.006788  0.696179  0.392854  1
  Ni  Ni22  1  0.506788  0.195987  0.393089  1
  Ni  Ni23  1  0.506788  0.965752  0.351153  1
  Ni  Ni24  1  0.506788  0.581078  0.371893  1
  Ni  Ni25  1  0.506788  0.233628  0.445237  1
  Ni  Ni26  1  0.506788  0.003379  0.403267  1
  Ni  Ni27  1  0.506788  0.618670  0.424172  1
  Ni  Ni28  1  1.006788  0.118478  0.424248  1
  Ni  Ni29  1  1.006788  0.733696  0.445031  1
  Ni  Ni30  1  1.006788  0.348713  0.466115  1
  Ni  Ni31  1  1.006788  0.311151  0.413957  1
  Ni  Ni32  1  1.006788  0.925992  0.434514  1
  Ni  Ni33  1  1.006788  0.541241  0.455566  1
  Ni  Ni34  1  0.506788  0.041091  0.455544  1
  Ni  Ni35  1  0.506788  0.811100  0.413577  1
  Ni  Ni36  1  0.506788  0.426247  0.434797  1
  Ni  Ni37  1  0.506788  0.078790  0.507841  1
  Ni  Ni38  1  0.506788  0.848691  0.465894  1
  Ni  Ni39  1  0.506788  0.463749  0.486945  1
  Ni  Ni40  1  1.006788  0.963715  0.486845  1
  Ni  Ni41  1  1.006788  0.578755  0.507741  1
  Ni  Ni42  1  1.006788  0.193813  0.528793  1
  Ni  Ni43  1  1.006788  0.156167  0.476516  1
  Ni  Ni44  1  1.006788  0.771274  0.497249  1
  Ni  Ni45  1  1.006788  0.386271  0.518302  1
  Ni  Ni46  1  0.506788  0.886338  0.518170  1
  Ni  Ni47  1  0.506788  0.656233  0.476384  1
  Ni  Ni48  1  0.506788  0.271231  0.497438  1
  Ni  Ni49  1  0.506788  0.924027  0.570438  1
  Ni  Ni50  1  0.506788  0.693791  0.528571  1
  Ni  Ni51  1  0.506788  0.308809  0.549655  1
  Ni  Ni52  1  1.006788  0.808877  0.549450  1
  Ni  Ni53  1  1.006788  0.423834  0.570514  1
  Ni  Ni54  1  1.006788  0.039126  0.591419  1
  Ni  Ni55  1  1.006788  1.001413  0.539142  1
  Ni  Ni56  1  1.006788  0.616257  0.559890  1
  Ni  Ni57  1  1.006788  0.231405  0.581109  1
  Ni  Ni58  1  0.506788  0.731353  0.580730  1
  Ni  Ni59  1  0.506788  0.501263  0.539121  1
  Ni  Ni60  1  0.506788  0.116513  0.560172  1
  Ni  Ni61  1  0.506788  0.769054  0.632881  1
  Ni  Ni62  1  0.506788  0.538723  0.591316  1
  Ni  Ni63  1  0.506788  0.154374  0.612621  1
  Ni  Ni64  1  1.006788  0.653737  0.611950  1
  Ni  Ni65  1  1.006788  0.269060  0.633483  1
  Ni  Ni66  1  1.006788  0.884374  0.653497  1
  Ni  Ni67  1  1.006788  0.846517  0.601597  1
  Ni  Ni68  1  1.006788  0.461427  0.622793  1
  Ni  Ni69  1  1.006788  0.076752  0.643533  1
  Ni  Ni70  1  0.506788  0.576449  0.643501  1
  Ni  Ni71  1  0.506788  0.346325  0.601833  1
  Ni  Ni72  1  0.506788  0.961876  0.622767  1
  Ni  Ni73  1  0.506788  0.613822  0.695863  1
  Ni  Ni74  1  0.506788  0.383529  0.653693  1
  Ni  Ni75  1  0.506788  1.000186  0.674958  1
  Ni  Ni76  1  1.006788  0.500434  0.674713  1
  Ni  Ni77  1  1.006788  0.114640  0.694895  1
  Ni  Ni78  1  1.006788  0.730570  0.713735  1
  Ni  Ni79  1  1.006788  0.691453  0.663632  1
  Ni  Ni80  1  1.006788  0.306157  0.685956  1
  Ni  Ni81  1  1.006788  0.921803  0.704556  1
  Ni  Ni82  1  0.506788  0.423452  0.704043  1
  Ni  Ni83  1  0.506788  0.192535  0.665050  1
  Ni  Ni84  1  0.506788  0.808001  0.684567  1
