# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49363204
_cell_length_b   12.66047063
_cell_length_c   47.04627457
_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   2080.90498651
_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  1.003774  0.528154  0.325900  1
  Ni  Ni2  1  1.003774  0.297137  0.285276  1
  Ni  Ni3  1  1.003774  0.913101  0.304956  1
  Ni  Ni4  1  0.503774  0.413101  0.304956  1
  Ni  Ni5  1  0.503774  0.028154  0.325900  1
  Ni  Ni6  1  0.503774  0.797137  0.285276  1
  Ni  Ni7  1  0.503774  0.604232  0.294751  1
  Ni  Ni8  1  0.503774  0.219729  0.315831  1
  Ni  Ni9  1  0.503774  0.836600  0.336743  1
  Ni  Ni10  1  1.003774  0.336600  0.336743  1
  Ni  Ni11  1  1.003774  0.104232  0.294751  1
  Ni  Ni12  1  1.003774  0.719729  0.315831  1
  Ni  Ni13  1  1.003774  0.374404  0.388642  1
  Ni  Ni14  1  1.003774  0.144063  0.347034  1
  Ni  Ni15  1  1.003774  0.759238  0.367734  1
  Ni  Ni16  1  0.503774  0.259238  0.367734  1
  Ni  Ni17  1  0.503774  0.874404  0.388642  1
  Ni  Ni18  1  0.503774  0.644063  0.347034  1
  Ni  Ni19  1  0.503774  0.451615  0.357315  1
  Ni  Ni20  1  0.503774  0.066693  0.378058  1
  Ni  Ni21  1  0.503774  0.681930  0.399019  1
  Ni  Ni22  1  1.003774  0.181930  0.399019  1
  Ni  Ni23  1  1.003774  0.951615  0.357315  1
  Ni  Ni24  1  1.003774  0.566693  0.378058  1
  Ni  Ni25  1  1.003774  0.219747  0.451123  1
  Ni  Ni26  1  1.003774  0.989555  0.409417  1
  Ni  Ni27  1  1.003774  0.604604  0.430250  1
  Ni  Ni28  1  0.503774  0.104604  0.430250  1
  Ni  Ni29  1  0.503774  0.719747  0.451123  1
  Ni  Ni30  1  0.503774  0.489555  0.409417  1
  Ni  Ni31  1  0.503774  0.297078  0.419867  1
  Ni  Ni32  1  0.503774  0.912216  0.440717  1
  Ni  Ni33  1  0.503774  0.527333  0.461545  1
  Ni  Ni34  1  1.003774  0.027333  0.461545  1
  Ni  Ni35  1  1.003774  0.797078  0.419867  1
  Ni  Ni36  1  1.003774  0.412216  0.440717  1
  Ni  Ni37  1  1.003774  0.065145  0.513674  1
  Ni  Ni38  1  1.003774  0.834886  0.471977  1
  Ni  Ni39  1  1.003774  0.450021  0.492825  1
  Ni  Ni40  1  0.503774  0.950021  0.492825  1
  Ni  Ni41  1  0.503774  0.565145  0.513674  1
  Ni  Ni42  1  0.503774  0.334886  0.471977  1
  Ni  Ni43  1  0.503774  0.142437  0.482390  1
  Ni  Ni44  1  0.503774  0.757561  0.503238  1
  Ni  Ni45  1  0.503774  0.372697  0.524086  1
  Ni  Ni46  1  1.003774  0.872697  0.524086  1
  Ni  Ni47  1  1.003774  0.642437  0.482390  1
  Ni  Ni48  1  1.003774  0.257561  0.503238  1
  Ni  Ni49  1  1.003774  0.910504  0.576197  1
  Ni  Ni50  1  1.003774  0.680250  0.534518  1
  Ni  Ni51  1  1.003774  0.295367  0.555346  1
  Ni  Ni52  1  0.503774  0.795367  0.555346  1
  Ni  Ni53  1  0.503774  0.410504  0.576197  1
  Ni  Ni54  1  0.503774  0.180250  0.534518  1
  Ni  Ni55  1  0.503774  0.987835  0.544940  1
  Ni  Ni56  1  0.503774  0.602978  0.565813  1
  Ni  Ni57  1  0.503774  0.218028  0.586647  1
  Ni  Ni58  1  1.003774  0.718028  0.586647  1
  Ni  Ni59  1  1.003774  0.487835  0.544940  1
  Ni  Ni60  1  1.003774  0.102978  0.565813  1
  Ni  Ni61  1  1.003774  0.755968  0.638749  1
  Ni  Ni62  1  1.003774  0.525652  0.597045  1
  Ni  Ni63  1  1.003774  0.140890  0.618005  1
  Ni  Ni64  1  0.503774  0.640890  0.618005  1
  Ni  Ni65  1  0.503774  0.255968  0.638749  1
  Ni  Ni66  1  0.503774  0.025652  0.597045  1
  Ni  Ni67  1  0.503774  0.833178  0.607421  1
  Ni  Ni68  1  0.503774  0.448344  0.628330  1
  Ni  Ni69  1  0.503774  0.063519  0.649030  1
  Ni  Ni70  1  1.003774  0.563519  0.649030  1
  Ni  Ni71  1  1.003774  0.333178  0.607421  1
  Ni  Ni72  1  1.003774  0.948344  0.628330  1
  Ni  Ni73  1  1.003774  0.603350  0.701313  1
  Ni  Ni74  1  1.003774  0.370982  0.659320  1
  Ni  Ni75  1  1.003774  0.987854  0.680232  1
  Ni  Ni76  1  0.503774  0.487854  0.680232  1
  Ni  Ni77  1  0.503774  0.103350  0.701313  1
  Ni  Ni78  1  0.503774  0.870982  0.659320  1
  Ni  Ni79  1  0.503774  0.679429  0.670163  1
  Ni  Ni80  1  0.503774  0.294482  0.691108  1
  Ni  Ni81  1  0.503774  0.910445  0.710787  1
  Ni  Ni82  1  1.003774  0.410445  0.710787  1
  Ni  Ni83  1  1.003774  0.179429  0.670163  1
  Ni  Ni84  1  1.003774  0.794482  0.691108  1
