# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96508251
_cell_length_b   4.96508251
_cell_length_c   46.85791939
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   1000.38362093
_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  0.751039  0.751866  0.292743  1
  Ni  Ni2  1  0.917494  0.918322  0.336466  1
  Ni  Ni3  1  0.751039  0.251234  0.292743  1
  Ni  Ni4  1  0.250406  0.751866  0.292743  1
  Ni  Ni5  1  0.415657  0.416485  0.335754  1
  Ni  Ni6  1  0.584161  0.584989  0.379078  1
  Ni  Ni7  1  0.415657  0.921997  0.335754  1
  Ni  Ni8  1  0.921169  0.416485  0.335754  1
  Ni  Ni9  1  0.084243  0.085071  0.379636  1
  Ni  Ni10  1  0.250828  0.251655  0.423076  1
  Ni  Ni11  1  0.084243  0.584824  0.379636  1
  Ni  Ni12  1  0.583996  0.085071  0.379636  1
  Ni  Ni13  1  0.750640  0.751468  0.422972  1
  Ni  Ni14  1  0.917494  0.918322  0.466463  1
  Ni  Ni15  1  0.750640  0.252031  0.422972  1
  Ni  Ni16  1  0.251203  0.751468  0.422972  1
  Ni  Ni17  1  0.417533  0.418361  0.466505  1
  Ni  Ni18  1  0.584161  0.584989  0.510015  1
  Ni  Ni19  1  0.417533  0.918245  0.466505  1
  Ni  Ni20  1  0.917417  0.418361  0.466505  1
  Ni  Ni21  1  0.084125  0.084953  0.509984  1
  Ni  Ni22  1  0.250828  0.251655  0.553431  1
  Ni  Ni23  1  0.084125  0.585061  0.509984  1
  Ni  Ni24  1  0.584233  0.084953  0.509984  1
  Ni  Ni25  1  0.750911  0.751738  0.553508  1
  Ni  Ni26  1  0.917494  0.918322  0.597178  1
  Ni  Ni27  1  0.750911  0.251490  0.553508  1
  Ni  Ni28  1  0.250662  0.751738  0.553508  1
  Ni  Ni29  1  0.417186  0.418014  0.596923  1
  Ni  Ni30  1  0.584161  0.584989  0.639865  1
  Ni  Ni31  1  0.417186  0.918939  0.596923  1
  Ni  Ni32  1  0.918111  0.418014  0.596923  1
  Ni  Ni33  1  0.084795  0.085623  0.640699  1
  Ni  Ni34  1  0.250828  0.251655  0.686449  1
  Ni  Ni35  1  0.084795  0.583721  0.640699  1
  Ni  Ni36  1  0.582893  0.085623  0.640699  1
  Ni  Ni37  1  0.748532  0.749360  0.683684  1
  Ni  Ni38  1  0.917494  0.918322  0.725380  1
  Ni  Ni39  1  0.748532  0.256247  0.683684  1
  Ni  Ni40  1  0.255420  0.749360  0.683684  1
