# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96664807
_cell_length_b   4.96664807
_cell_length_c   46.72583854
_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   998.192979467
_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  0.335052  0.667813  0.304817  1
  Ni  Ni2  1  0.335052  0.167813  0.304817  1
  Ni  Ni3  1  0.835052  0.167813  0.304817  1
  Ni  Ni4  1  0.835052  0.667813  0.304817  1
  Ni  Ni5  1  0.668386  0.334479  0.347805  1
  Ni  Ni6  1  0.668386  0.834479  0.347805  1
  Ni  Ni7  1  0.168386  0.834479  0.347805  1
  Ni  Ni8  1  0.168386  0.334479  0.347805  1
  Ni  Ni9  1  1.001719  1.001146  0.391300  1
  Ni  Ni10  1  1.001719  0.501146  0.391300  1
  Ni  Ni11  1  0.501719  0.501146  0.391300  1
  Ni  Ni12  1  0.501719  1.001146  0.391300  1
  Ni  Ni13  1  0.335052  0.667813  0.434852  1
  Ni  Ni14  1  0.335052  0.167813  0.434852  1
  Ni  Ni15  1  0.835052  0.167813  0.434852  1
  Ni  Ni16  1  0.835052  0.667813  0.434852  1
  Ni  Ni17  1  0.668386  0.334479  0.478401  1
  Ni  Ni18  1  0.668386  0.834479  0.478401  1
  Ni  Ni19  1  0.168386  0.834479  0.478401  1
  Ni  Ni20  1  0.168386  0.334479  0.478401  1
  Ni  Ni21  1  1.001719  1.001146  0.521950  1
  Ni  Ni22  1  1.001719  0.501146  0.521950  1
  Ni  Ni23  1  0.501719  0.501146  0.521950  1
  Ni  Ni24  1  0.501719  1.001146  0.521950  1
  Ni  Ni25  1  0.335052  0.667813  0.565499  1
  Ni  Ni26  1  0.335052  0.167813  0.565499  1
  Ni  Ni27  1  0.835052  0.167813  0.565499  1
  Ni  Ni28  1  0.835052  0.667813  0.565499  1
  Ni  Ni29  1  0.668386  0.334479  0.609052  1
  Ni  Ni30  1  0.668386  0.834479  0.609052  1
  Ni  Ni31  1  0.168386  0.834479  0.609052  1
  Ni  Ni32  1  0.168386  0.334479  0.609052  1
  Ni  Ni33  1  1.001719  1.001146  0.652547  1
  Ni  Ni34  1  1.001719  0.501146  0.652547  1
  Ni  Ni35  1  0.501719  0.501146  0.652547  1
  Ni  Ni36  1  0.501719  1.001146  0.652547  1
  Ni  Ni37  1  0.335052  0.667813  0.695535  1
  Ni  Ni38  1  0.335052  0.167813  0.695535  1
  Ni  Ni39  1  0.835052  0.167813  0.695535  1
  Ni  Ni40  1  0.835052  0.667813  0.695535  1
