# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84409373
_cell_length_b   7.84459533
_cell_length_c   46.07746567
_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   2778.03376625
_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  0.733019  0.733255  0.288851  1
  Ni  Ni2  1  0.233019  0.233255  0.288851  1
  Ni  Ni3  1  0.148167  0.648435  0.318946  1
  Ni  Ni4  1  0.648167  0.148435  0.318946  1
  Ni  Ni5  1  0.898167  0.898435  0.318946  1
  Ni  Ni6  1  0.398167  0.398435  0.318946  1
  Ni  Ni7  1  0.483019  0.983255  0.288851  1
  Ni  Ni8  1  0.983019  0.483255  0.288851  1
  Ni  Ni9  1  0.606485  0.856745  0.335318  1
  Ni  Ni10  1  0.106485  0.356745  0.335318  1
  Ni  Ni11  1  0.189089  0.939345  0.303194  1
  Ni  Ni12  1  0.689089  0.439345  0.303194  1
  Ni  Ni13  1  0.856485  0.606745  0.335318  1
  Ni  Ni14  1  0.356485  0.106745  0.335318  1
  Ni  Ni15  1  0.439089  0.689345  0.303194  1
  Ni  Ni16  1  0.939089  0.189345  0.303194  1
  Ni  Ni17  1  0.565507  0.565774  0.350369  1
  Ni  Ni18  1  0.065507  0.065774  0.350369  1
  Ni  Ni19  1  0.982016  0.482290  0.381880  1
  Ni  Ni20  1  0.482016  0.982290  0.381880  1
  Ni  Ni21  1  0.732016  0.732290  0.381880  1
  Ni  Ni22  1  0.232016  0.232290  0.381880  1
  Ni  Ni23  1  0.315507  0.815774  0.350369  1
  Ni  Ni24  1  0.815507  0.315774  0.350369  1
  Ni  Ni25  1  0.440081  0.690360  0.397297  1
  Ni  Ni26  1  0.940081  0.190360  0.397297  1
  Ni  Ni27  1  0.023852  0.774126  0.366007  1
  Ni  Ni28  1  0.523852  0.274126  0.366007  1
  Ni  Ni29  1  0.690081  0.440360  0.397297  1
  Ni  Ni30  1  0.190081  0.940360  0.397297  1
  Ni  Ni31  1  0.273852  0.524126  0.366007  1
  Ni  Ni32  1  0.773852  0.024126  0.366007  1
  Ni  Ni33  1  0.398311  0.398595  0.412978  1
  Ni  Ni34  1  0.898311  0.898595  0.412978  1
  Ni  Ni35  1  0.814532  0.314822  0.444240  1
  Ni  Ni36  1  0.314532  0.814822  0.444240  1
  Ni  Ni37  1  0.564532  0.564822  0.444240  1
  Ni  Ni38  1  0.064532  0.064822  0.444240  1
  Ni  Ni39  1  0.148311  0.648595  0.412978  1
  Ni  Ni40  1  0.648311  0.148595  0.412978  1
  Ni  Ni41  1  0.272708  0.523003  0.459909  1
  Ni  Ni42  1  0.772708  0.023003  0.459909  1
  Ni  Ni43  1  0.856405  0.606692  0.428692  1
  Ni  Ni44  1  0.356405  0.106692  0.428692  1
  Ni  Ni45  1  0.522708  0.273003  0.459909  1
  Ni  Ni46  1  0.022708  0.773003  0.459909  1
  Ni  Ni47  1  0.106405  0.356692  0.428692  1
  Ni  Ni48  1  0.606405  0.856692  0.428692  1
  Ni  Ni49  1  0.230830  0.231128  0.475558  1
  Ni  Ni50  1  0.730830  0.731128  0.475558  1
  Ni  Ni51  1  0.647125  0.147431  0.506829  1
  Ni  Ni52  1  0.147125  0.647431  0.506829  1
  Ni  Ni53  1  0.397125  0.397431  0.506829  1
  Ni  Ni54  1  0.897125  0.897431  0.506829  1
  Ni  Ni55  1  0.980830  0.481128  0.475558  1
  Ni  Ni56  1  0.480830  0.981128  0.475558  1
  Ni  Ni57  1  0.105256  0.355566  0.522437  1
  Ni  Ni58  1  0.605256  0.855566  0.522437  1
  Ni  Ni59  1  0.688961  0.439263  0.491166  1
  Ni  Ni60  1  0.188961  0.939263  0.491166  1
  Ni  Ni61  1  0.355256  0.105566  0.522437  1
  Ni  Ni62  1  0.855256  0.605566  0.522437  1
  Ni  Ni63  1  0.938961  0.189263  0.491166  1
  Ni  Ni64  1  0.438961  0.689263  0.491166  1
  Ni  Ni65  1  0.063378  0.063691  0.538086  1
  Ni  Ni66  1  0.563378  0.563691  0.538086  1
  Ni  Ni67  1  0.479681  0.980003  0.569304  1
  Ni  Ni68  1  0.979681  0.480003  0.569304  1
  Ni  Ni69  1  0.229681  0.230003  0.569304  1
  Ni  Ni70  1  0.729681  0.730003  0.569304  1
  Ni  Ni71  1  0.813378  0.313691  0.538086  1
  Ni  Ni72  1  0.313378  0.813691  0.538086  1
  Ni  Ni73  1  0.937775  0.188100  0.585017  1
  Ni  Ni74  1  0.437775  0.688100  0.585017  1
  Ni  Ni75  1  0.521554  0.271872  0.553755  1
  Ni  Ni76  1  0.021554  0.771872  0.553755  1
  Ni  Ni77  1  0.187775  0.938100  0.585017  1
  Ni  Ni78  1  0.687775  0.438100  0.585017  1
  Ni  Ni79  1  0.771554  0.021872  0.553755  1
  Ni  Ni80  1  0.271554  0.521872  0.553755  1
  Ni  Ni81  1  0.896005  0.896334  0.600698  1
  Ni  Ni82  1  0.396005  0.396334  0.600698  1
  Ni  Ni83  1  0.312234  0.812568  0.631988  1
  Ni  Ni84  1  0.812234  0.312568  0.631988  1
  Ni  Ni85  1  0.062234  0.062568  0.631988  1
  Ni  Ni86  1  0.562234  0.562568  0.631988  1
  Ni  Ni87  1  0.646005  0.146334  0.600698  1
  Ni  Ni88  1  0.146005  0.646334  0.600698  1
  Ni  Ni89  1  0.770579  0.020920  0.647626  1
  Ni  Ni90  1  0.270579  0.520920  0.647626  1
  Ni  Ni91  1  0.354070  0.104404  0.616115  1
  Ni  Ni92  1  0.854070  0.604404  0.616115  1
  Ni  Ni93  1  0.020579  0.770920  0.647626  1
  Ni  Ni94  1  0.520579  0.270920  0.647626  1
  Ni  Ni95  1  0.604070  0.854404  0.616115  1
  Ni  Ni96  1  0.104070  0.354404  0.616115  1
  Ni  Ni97  1  0.729601  0.729949  0.662677  1
  Ni  Ni98  1  0.229601  0.229949  0.662677  1
  Ni  Ni99  1  0.146997  0.647349  0.694801  1
  Ni  Ni100  1  0.646997  0.147349  0.694801  1
  Ni  Ni101  1  0.896997  0.897349  0.694801  1
  Ni  Ni102  1  0.396997  0.397349  0.694801  1
  Ni  Ni103  1  0.479601  0.979949  0.662677  1
  Ni  Ni104  1  0.979601  0.479949  0.662677  1
  Ni  Ni105  1  0.603068  0.853439  0.709145  1
  Ni  Ni106  1  0.103068  0.353439  0.709145  1
  Ni  Ni107  1  0.187919  0.938259  0.679049  1
  Ni  Ni108  1  0.687919  0.438259  0.679049  1
  Ni  Ni109  1  0.853068  0.603439  0.709145  1
  Ni  Ni110  1  0.353068  0.103439  0.709145  1
  Ni  Ni111  1  0.437919  0.688259  0.679049  1
  Ni  Ni112  1  0.937919  0.188259  0.679049  1
