# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28384433
_cell_length_b   4.76441984
_cell_length_c   46.92650215
_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   Ni40
_cell_volume   957.771454516
_cell_formula_units_Z   40
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  0.167527  0.445724  0.304284  1
  Ni  Ni2  1  0.664923  0.575098  0.282351  1
  Ni  Ni3  1  0.335955  0.945724  0.304284  1
  Ni  Ni4  1  0.838558  0.075098  0.282351  1
  Ni  Ni5  1  0.167845  0.177155  0.349924  1
  Ni  Ni6  1  0.667161  0.308569  0.327606  1
  Ni  Ni7  1  0.335637  0.677155  0.349924  1
  Ni  Ni8  1  0.836320  0.808569  0.327606  1
  Ni  Ni9  1  0.168884  0.909553  0.395459  1
  Ni  Ni10  1  0.668508  0.042750  0.372835  1
  Ni  Ni11  1  0.334597  0.409553  0.395459  1
  Ni  Ni12  1  0.834973  0.542750  0.372835  1
  Ni  Ni13  1  0.169015  0.642415  0.440972  1
  Ni  Ni14  1  0.668947  0.775855  0.418267  1
  Ni  Ni15  1  0.334467  0.142415  0.440972  1
  Ni  Ni16  1  0.834534  0.275855  0.418267  1
  Ni  Ni17  1  0.169017  0.375369  0.486470  1
  Ni  Ni18  1  0.669006  0.508856  0.463742  1
  Ni  Ni19  1  0.334464  0.875369  0.486470  1
  Ni  Ni20  1  0.834475  0.008856  0.463742  1
  Ni  Ni21  1  0.169006  0.108347  0.531958  1
  Ni  Ni22  1  0.669017  0.241834  0.509230  1
  Ni  Ni23  1  0.334475  0.608347  0.531958  1
  Ni  Ni24  1  0.834464  0.741834  0.509230  1
  Ni  Ni25  1  0.168947  0.841349  0.577433  1
  Ni  Ni26  1  0.669015  0.974789  0.554728  1
  Ni  Ni27  1  0.334534  0.341349  0.577433  1
  Ni  Ni28  1  0.834467  0.474789  0.554728  1
  Ni  Ni29  1  0.168508  0.574454  0.622865  1
  Ni  Ni30  1  0.668884  0.707650  0.600242  1
  Ni  Ni31  1  0.334973  0.074454  0.622865  1
  Ni  Ni32  1  0.834597  0.207650  0.600242  1
  Ni  Ni33  1  0.167161  0.308635  0.668095  1
  Ni  Ni34  1  0.667845  0.440048  0.645776  1
  Ni  Ni35  1  0.336320  0.808635  0.668095  1
  Ni  Ni36  1  0.835637  0.940048  0.645776  1
  Ni  Ni37  1  0.164923  0.042106  0.713349  1
  Ni  Ni38  1  0.667527  0.171479  0.691416  1
  Ni  Ni39  1  0.338558  0.542106  0.713349  1
  Ni  Ni40  1  0.835955  0.671479  0.691416  1
