# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96209813
_cell_length_b   4.96209813
_cell_length_c   46.70753009
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   995.974528389
_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  0.835434  0.918067  0.337582  1
  Ni  Ni2  1  0.503094  0.751897  0.294205  1
  Ni  Ni3  1  1.001604  0.751897  0.294205  1
  Ni  Ni4  1  1.001604  0.250407  0.294205  1
  Ni  Ni5  1  0.168767  0.584734  0.379880  1
  Ni  Ni6  1  0.831463  0.416081  0.336407  1
  Ni  Ni7  1  0.337420  0.416081  0.336407  1
  Ni  Ni8  1  0.337420  0.922038  0.336407  1
  Ni  Ni9  1  0.502101  0.251400  0.424050  1
  Ni  Ni10  1  0.169447  0.085074  0.380499  1
  Ni  Ni11  1  0.668427  0.085074  0.380499  1
  Ni  Ni12  1  0.668427  0.584054  0.380499  1
  Ni  Ni13  1  0.835434  0.918067  0.467452  1
  Ni  Ni14  1  0.501604  0.751152  0.423884  1
  Ni  Ni15  1  0.002349  0.751152  0.423884  1
  Ni  Ni16  1  0.002349  0.251897  0.423884  1
  Ni  Ni17  1  0.168767  0.584734  0.511134  1
  Ni  Ni18  1  0.835589  0.418144  0.467525  1
  Ni  Ni19  1  0.335357  0.418144  0.467525  1
  Ni  Ni20  1  0.335357  0.917912  0.467525  1
  Ni  Ni21  1  0.502101  0.251400  0.554572  1
  Ni  Ni22  1  0.168624  0.084662  0.511073  1
  Ni  Ni23  1  0.668839  0.084662  0.511073  1
  Ni  Ni24  1  0.668839  0.584877  0.511073  1
  Ni  Ni25  1  0.835434  0.918067  0.598534  1
  Ni  Ni26  1  0.502399  0.751550  0.554703  1
  Ni  Ni27  1  1.001951  0.751550  0.554703  1
  Ni  Ni28  1  1.001951  0.251102  0.554703  1
  Ni  Ni29  1  0.168767  0.584734  0.640990  1
  Ni  Ni30  1  0.834523  0.417612  0.598158  1
  Ni  Ni31  1  0.335889  0.417612  0.598158  1
  Ni  Ni32  1  0.335889  0.918978  0.598158  1
  Ni  Ni33  1  0.502101  0.251400  0.688480  1
  Ni  Ni34  1  0.171028  0.085864  0.642120  1
  Ni  Ni35  1  0.667637  0.085864  0.642120  1
  Ni  Ni36  1  0.667637  0.582473  0.642120  1
  Ni  Ni37  1  0.835434  0.918067  0.723847  1
  Ni  Ni38  1  0.496620  0.748660  0.684816  1
  Ni  Ni39  1  0.004841  0.748660  0.684816  1
  Ni  Ni40  1  0.004841  0.256881  0.684816  1
