# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51920800
_cell_length_b   5.51920800
_cell_length_c   28.71612300
_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   Ni80
_cell_volume   874.74068768
_cell_formula_units_Z   80
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  Ni0  1  0.589871  0.796842  0.999710  1
  Ni  Ni1  1  0.600416  0.800966  0.878681  1
  Ni  Ni2  1  0.600168  0.799679  0.755958  1
  Ni  Ni3  1  0.598253  0.796312  0.632824  1
  Ni  Ni4  1  0.796842  0.410129  0.999710  1
  Ni  Ni5  1  0.800966  0.399584  0.878681  1
  Ni  Ni6  1  0.799679  0.399832  0.755958  1
  Ni  Ni7  1  0.796312  0.401747  0.632824  1
  Ni  Ni8  1  0.203158  0.589871  0.999710  1
  Ni  Ni9  1  0.199034  0.600416  0.878681  1
  Ni  Ni10  1  0.200321  0.600168  0.755958  1
  Ni  Ni11  1  0.203688  0.598253  0.632824  1
  Ni  Ni12  1  0.410129  0.203158  0.999710  1
  Ni  Ni13  1  0.399584  0.199034  0.878681  1
  Ni  Ni14  1  0.399832  0.200321  0.755958  1
  Ni  Ni15  1  0.401747  0.203688  0.632824  1
  Ni  Ni16  1  0.000000  0.000000  0.007390  1
  Ni  Ni17  1  0.000000  0.000000  0.878422  1
  Ni  Ni18  1  0.000000  0.000000  0.755589  1
  Ni  Ni19  1  0.000000  0.000000  0.634528  1
  Ni  Ni20  1  0.703688  0.098253  0.940346  1
  Ni  Ni21  1  0.700321  0.100168  0.817213  1
  Ni  Ni22  1  0.699034  0.100416  0.694490  1
  Ni  Ni23  1  0.703158  0.089871  0.573461  1
  Ni  Ni24  1  0.901747  0.703688  0.940346  1
  Ni  Ni25  1  0.899832  0.700321  0.817213  1
  Ni  Ni26  1  0.899584  0.699034  0.694490  1
  Ni  Ni27  1  0.910129  0.703158  0.573461  1
  Ni  Ni28  1  0.296312  0.901747  0.940346  1
  Ni  Ni29  1  0.299679  0.899832  0.817213  1
  Ni  Ni30  1  0.300966  0.899584  0.694490  1
  Ni  Ni31  1  0.296842  0.910129  0.573461  1
  Ni  Ni32  1  0.500000  0.500000  0.938642  1
  Ni  Ni33  1  0.500000  0.500000  0.817582  1
  Ni  Ni34  1  0.500000  0.500000  0.694749  1
  Ni  Ni35  1  0.500000  0.500000  0.565781  1
  Ni  Ni36  1  0.098253  0.296312  0.940346  1
  Ni  Ni37  1  0.100168  0.299679  0.817213  1
  Ni  Ni38  1  0.100416  0.300966  0.694490  1
  Ni  Ni39  1  0.089871  0.296842  0.573461  1
  Ni  Ni40  1  0.589871  0.203158  0.499710  1
  Ni  Ni41  1  0.600416  0.199034  0.378681  1
  Ni  Ni42  1  0.600168  0.200321  0.255958  1
  Ni  Ni43  1  0.598253  0.203688  0.132824  1
  Ni  Ni44  1  0.203158  0.410129  0.499710  1
  Ni  Ni45  1  0.199034  0.399584  0.378681  1
  Ni  Ni46  1  0.200321  0.399832  0.255958  1
  Ni  Ni47  1  0.203688  0.401747  0.132824  1
  Ni  Ni48  1  0.796842  0.589871  0.499710  1
  Ni  Ni49  1  0.800966  0.600416  0.378681  1
  Ni  Ni50  1  0.799679  0.600168  0.255958  1
  Ni  Ni51  1  0.796312  0.598253  0.132824  1
  Ni  Ni52  1  0.410129  0.796842  0.499710  1
  Ni  Ni53  1  0.399584  0.800966  0.378681  1
  Ni  Ni54  1  0.399832  0.799679  0.255958  1
  Ni  Ni55  1  0.401747  0.796312  0.132824  1
  Ni  Ni56  1  0.000000  0.000000  0.507390  1
  Ni  Ni57  1  0.000000  0.000000  0.378422  1
  Ni  Ni58  1  0.000000  0.000000  0.255589  1
  Ni  Ni59  1  0.000000  0.000000  0.134528  1
  Ni  Ni60  1  0.901747  0.296312  0.440346  1
  Ni  Ni61  1  0.899832  0.299679  0.317213  1
  Ni  Ni62  1  0.899584  0.300966  0.194490  1
  Ni  Ni63  1  0.910129  0.296842  0.073461  1
  Ni  Ni64  1  0.500000  0.500000  0.438642  1
  Ni  Ni65  1  0.500000  0.500000  0.317582  1
  Ni  Ni66  1  0.500000  0.500000  0.194749  1
  Ni  Ni67  1  0.500000  0.500000  0.065781  1
  Ni  Ni68  1  0.098253  0.703688  0.440346  1
  Ni  Ni69  1  0.100168  0.700321  0.317213  1
  Ni  Ni70  1  0.100416  0.699034  0.194490  1
  Ni  Ni71  1  0.089871  0.703158  0.073461  1
  Ni  Ni72  1  0.703688  0.901747  0.440346  1
  Ni  Ni73  1  0.700321  0.899832  0.317213  1
  Ni  Ni74  1  0.699034  0.899584  0.194490  1
  Ni  Ni75  1  0.703158  0.910129  0.073461  1
  Ni  Ni76  1  0.296312  0.098253  0.440346  1
  Ni  Ni77  1  0.299679  0.100168  0.317213  1
  Ni  Ni78  1  0.300966  0.100416  0.194490  1
  Ni  Ni79  1  0.296842  0.089871  0.073461  1
