# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95814693
_cell_length_b   4.95814693
_cell_length_c   46.76718538
_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   995.65906015
_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  0.836341  0.918672  0.274714  1
  Ni  Ni2  1  0.174761  0.087882  0.315136  1
  Ni  Ni3  1  0.667131  0.087882  0.315136  1
  Ni  Ni4  1  0.667131  0.580252  0.315136  1
  Ni  Ni5  1  0.169675  0.585339  0.312163  1
  Ni  Ni6  1  0.501046  0.751024  0.357921  1
  Ni  Ni7  1  0.003989  0.751024  0.357921  1
  Ni  Ni8  1  0.003989  0.253967  0.357921  1
  Ni  Ni9  1  0.503008  0.252005  0.358951  1
  Ni  Ni10  1  0.837165  0.419084  0.401809  1
  Ni  Ni11  1  0.335929  0.419084  0.401809  1
  Ni  Ni12  1  0.335929  0.917848  0.401809  1
  Ni  Ni13  1  0.836341  0.918672  0.401468  1
  Ni  Ni14  1  0.169397  0.085200  0.445247  1
  Ni  Ni15  1  0.669813  0.085200  0.445247  1
  Ni  Ni16  1  0.669813  0.585616  0.445247  1
  Ni  Ni17  1  0.169675  0.585339  0.445363  1
  Ni  Ni18  1  0.503130  0.752067  0.488840  1
  Ni  Ni19  1  1.002947  0.752067  0.488840  1
  Ni  Ni20  1  1.002947  0.251883  0.488840  1
  Ni  Ni21  1  0.503008  0.252005  0.488788  1
  Ni  Ni22  1  0.836219  0.418611  0.532363  1
  Ni  Ni23  1  0.336402  0.418611  0.532363  1
  Ni  Ni24  1  0.336402  0.918794  0.532363  1
  Ni  Ni25  1  0.836341  0.918672  0.532420  1
  Ni  Ni26  1  0.170082  0.085542  0.575959  1
  Ni  Ni27  1  0.669471  0.085542  0.575959  1
  Ni  Ni28  1  0.669471  0.584931  0.575959  1
  Ni  Ni29  1  0.169675  0.585339  0.575835  1
  Ni  Ni30  1  0.502768  0.751885  0.619352  1
  Ni  Ni31  1  0.003128  0.751885  0.619352  1
  Ni  Ni32  1  0.003128  0.252245  0.619352  1
  Ni  Ni33  1  0.503008  0.252005  0.619848  1
  Ni  Ni34  1  0.839934  0.420469  0.663246  1
  Ni  Ni35  1  0.334545  0.420469  0.663246  1
  Ni  Ni36  1  0.334545  0.915079  0.663246  1
  Ni  Ni37  1  0.836341  0.918672  0.662588  1
  Ni  Ni38  1  0.169192  0.085097  0.705865  1
  Ni  Ni39  1  0.669916  0.085097  0.705865  1
  Ni  Ni40  1  0.669916  0.585821  0.705865  1
