# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87182397
_cell_length_b   7.86818099
_cell_length_c   46.02114148
_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   Ni112
_cell_volume   2792.81853657
_cell_formula_units_Z   112
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  0.691131  0.941793  0.304789  1
  Ni  Ni2  1  0.191131  0.441793  0.304789  1
  Ni  Ni3  1  0.104556  0.855200  0.336400  1
  Ni  Ni4  1  0.604556  0.355200  0.336400  1
  Ni  Ni5  1  0.941131  0.691793  0.304789  1
  Ni  Ni6  1  0.441131  0.191793  0.304789  1
  Ni  Ni7  1  0.354556  0.605200  0.336400  1
  Ni  Ni8  1  0.854556  0.105200  0.336400  1
  Ni  Ni9  1  0.647062  0.647686  0.320019  1
  Ni  Ni10  1  0.147062  0.147686  0.320019  1
  Ni  Ni11  1  0.234274  0.735029  0.289735  1
  Ni  Ni12  1  0.734274  0.235029  0.289735  1
  Ni  Ni13  1  0.984274  0.985029  0.289735  1
  Ni  Ni14  1  0.484274  0.485029  0.289735  1
  Ni  Ni15  1  0.397062  0.897686  0.320019  1
  Ni  Ni16  1  0.897062  0.397686  0.320019  1
  Ni  Ni17  1  0.521716  0.772293  0.367062  1
  Ni  Ni18  1  0.021716  0.272293  0.367062  1
  Ni  Ni19  1  0.938146  0.688683  0.398439  1
  Ni  Ni20  1  0.438146  0.188683  0.398439  1
  Ni  Ni21  1  0.771716  0.522293  0.367062  1
  Ni  Ni22  1  0.271716  0.022293  0.367062  1
  Ni  Ni23  1  0.188146  0.438683  0.398439  1
  Ni  Ni24  1  0.688146  0.938683  0.398439  1
  Ni  Ni25  1  0.479934  0.480499  0.383020  1
  Ni  Ni26  1  0.979934  0.980499  0.383020  1
  Ni  Ni27  1  0.062987  0.563592  0.351425  1
  Ni  Ni28  1  0.562987  0.063592  0.351425  1
  Ni  Ni29  1  0.812987  0.813592  0.351425  1
  Ni  Ni30  1  0.312987  0.313592  0.351425  1
  Ni  Ni31  1  0.229934  0.730499  0.383020  1
  Ni  Ni32  1  0.729934  0.230499  0.383020  1
  Ni  Ni33  1  0.354772  0.605265  0.429855  1
  Ni  Ni34  1  0.854772  0.105265  0.429855  1
  Ni  Ni35  1  0.771362  0.521807  0.461082  1
  Ni  Ni36  1  0.271362  0.021807  0.461082  1
  Ni  Ni37  1  0.604772  0.355265  0.429855  1
  Ni  Ni38  1  0.104772  0.855265  0.429855  1
  Ni  Ni39  1  0.021362  0.271807  0.461082  1
  Ni  Ni40  1  0.521362  0.771807  0.461082  1
  Ni  Ni41  1  0.313039  0.313507  0.445416  1
  Ni  Ni42  1  0.813039  0.813507  0.445416  1
  Ni  Ni43  1  0.896535  0.397047  0.414108  1
  Ni  Ni44  1  0.396535  0.897047  0.414108  1
  Ni  Ni45  1  0.646535  0.647047  0.414108  1
  Ni  Ni46  1  0.146535  0.147047  0.414108  1
  Ni  Ni47  1  0.063039  0.563507  0.445416  1
  Ni  Ni48  1  0.563039  0.063507  0.445416  1
  Ni  Ni49  1  0.187902  0.438300  0.492375  1
  Ni  Ni50  1  0.687902  0.938300  0.492375  1
  Ni  Ni51  1  0.604484  0.354836  0.523663  1
  Ni  Ni52  1  0.104484  0.854836  0.523663  1
  Ni  Ni53  1  0.437902  0.188300  0.492375  1
  Ni  Ni54  1  0.937902  0.688300  0.492375  1
  Ni  Ni55  1  0.854484  0.104836  0.523663  1
  Ni  Ni56  1  0.354484  0.604836  0.523663  1
  Ni  Ni57  1  0.146210  0.146586  0.508039  1
  Ni  Ni58  1  0.646210  0.646586  0.508039  1
  Ni  Ni59  1  0.729628  0.230050  0.476751  1
  Ni  Ni60  1  0.229628  0.730050  0.476751  1
  Ni  Ni61  1  0.479628  0.480050  0.476751  1
  Ni  Ni62  1  0.979628  0.980050  0.476751  1
  Ni  Ni63  1  0.896210  0.396586  0.508039  1
  Ni  Ni64  1  0.396210  0.896586  0.508039  1
  Ni  Ni65  1  0.021073  0.271379  0.554998  1
  Ni  Ni66  1  0.521073  0.771379  0.554998  1
  Ni  Ni67  1  0.437577  0.187839  0.586307  1
  Ni  Ni68  1  0.937577  0.687839  0.586307  1
  Ni  Ni69  1  0.271073  0.021379  0.554998  1
  Ni  Ni70  1  0.771073  0.521379  0.554998  1
  Ni  Ni71  1  0.687577  0.937839  0.586307  1
  Ni  Ni72  1  0.187577  0.437839  0.586307  1
  Ni  Ni73  1  0.979340  0.979621  0.570559  1
  Ni  Ni74  1  0.479340  0.479621  0.570559  1
  Ni  Ni75  1  0.562750  0.063079  0.539332  1
  Ni  Ni76  1  0.062750  0.563079  0.539332  1
  Ni  Ni77  1  0.312750  0.313079  0.539332  1
  Ni  Ni78  1  0.812750  0.813079  0.539332  1
  Ni  Ni79  1  0.729340  0.229621  0.570559  1
  Ni  Ni80  1  0.229340  0.729621  0.570559  1
  Ni  Ni81  1  0.854178  0.104387  0.617394  1
  Ni  Ni82  1  0.354178  0.604387  0.617394  1
  Ni  Ni83  1  0.271125  0.021294  0.648990  1
  Ni  Ni84  1  0.771125  0.521294  0.648990  1
  Ni  Ni85  1  0.104178  0.854387  0.617394  1
  Ni  Ni86  1  0.604178  0.354387  0.617394  1
  Ni  Ni87  1  0.521125  0.771294  0.648990  1
  Ni  Ni88  1  0.021125  0.271294  0.648990  1
  Ni  Ni89  1  0.812396  0.812593  0.633352  1
  Ni  Ni90  1  0.312396  0.312593  0.633352  1
  Ni  Ni91  1  0.395966  0.896203  0.601975  1
  Ni  Ni92  1  0.895966  0.396203  0.601975  1
  Ni  Ni93  1  0.145966  0.146203  0.601975  1
  Ni  Ni94  1  0.645966  0.646203  0.601975  1
  Ni  Ni95  1  0.562396  0.062593  0.633352  1
  Ni  Ni96  1  0.062396  0.562593  0.633352  1
  Ni  Ni97  1  0.687050  0.937200  0.680395  1
  Ni  Ni98  1  0.187050  0.437200  0.680395  1
  Ni  Ni99  1  0.099838  0.849857  0.710679  1
  Ni  Ni100  1  0.599838  0.349857  0.710679  1
  Ni  Ni101  1  0.937050  0.687200  0.680395  1
  Ni  Ni102  1  0.437050  0.187200  0.680395  1
  Ni  Ni103  1  0.349838  0.599857  0.710679  1
  Ni  Ni104  1  0.849838  0.099857  0.710679  1
  Ni  Ni105  1  0.642981  0.643093  0.695626  1
  Ni  Ni106  1  0.142981  0.143093  0.695626  1
  Ni  Ni107  1  0.229556  0.729686  0.664015  1
  Ni  Ni108  1  0.729556  0.229686  0.664015  1
  Ni  Ni109  1  0.979556  0.979686  0.664015  1
  Ni  Ni110  1  0.479556  0.479686  0.664015  1
  Ni  Ni111  1  0.392981  0.893093  0.695626  1
  Ni  Ni112  1  0.892981  0.393093  0.695626  1
