# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29372984
_cell_length_b   4.78015425
_cell_length_c   46.92634909
_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   963.148813066
_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  0.173002  0.456703  0.305502  1
  Ni  Ni2  1  0.670729  0.587956  0.284039  1
  Ni  Ni3  1  0.329781  0.956703  0.305502  1
  Ni  Ni4  1  0.832055  0.087956  0.284039  1
  Ni  Ni5  1  0.169643  0.183917  0.350584  1
  Ni  Ni6  1  0.672488  0.318007  0.328560  1
  Ni  Ni7  1  0.333141  0.683917  0.350584  1
  Ni  Ni8  1  0.830296  0.818007  0.328560  1
  Ni  Ni9  1  0.168554  0.917357  0.396315  1
  Ni  Ni10  1  0.668345  0.050249  0.373763  1
  Ni  Ni11  1  0.334229  0.417357  0.396315  1
  Ni  Ni12  1  0.834439  0.550249  0.373763  1
  Ni  Ni13  1  0.168662  0.650940  0.441942  1
  Ni  Ni14  1  0.668585  0.784045  0.419254  1
  Ni  Ni15  1  0.334121  0.150940  0.441942  1
  Ni  Ni16  1  0.834199  0.284045  0.419254  1
  Ni  Ni17  1  0.168655  0.384576  0.487531  1
  Ni  Ni18  1  0.668640  0.517715  0.464792  1
  Ni  Ni19  1  0.334129  0.884576  0.487531  1
  Ni  Ni20  1  0.834143  0.017715  0.464792  1
  Ni  Ni21  1  0.168640  0.118234  0.533098  1
  Ni  Ni22  1  0.668655  0.251372  0.510360  1
  Ni  Ni23  1  0.334143  0.618234  0.533098  1
  Ni  Ni24  1  0.834129  0.751372  0.510360  1
  Ni  Ni25  1  0.168585  0.851904  0.578637  1
  Ni  Ni26  1  0.668662  0.985008  0.555949  1
  Ni  Ni27  1  0.334199  0.351904  0.578637  1
  Ni  Ni28  1  0.834121  0.485008  0.555949  1
  Ni  Ni29  1  0.168345  0.585700  0.624127  1
  Ni  Ni30  1  0.668554  0.718591  0.601576  1
  Ni  Ni31  1  0.334439  0.085700  0.624127  1
  Ni  Ni32  1  0.834229  0.218591  0.601576  1
  Ni  Ni33  1  0.172488  0.317942  0.669331  1
  Ni  Ni34  1  0.669643  0.452031  0.647306  1
  Ni  Ni35  1  0.330296  0.817942  0.669331  1
  Ni  Ni36  1  0.833141  0.952031  0.647306  1
  Ni  Ni37  1  0.170729  0.047993  0.713851  1
  Ni  Ni38  1  0.673002  0.179245  0.692388  1
  Ni  Ni39  1  0.332055  0.547993  0.713851  1
  Ni  Ni40  1  0.829781  0.679245  0.692388  1
