# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30203181
_cell_length_b   4.81249717
_cell_length_c   46.86745245
_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   970.321047023
_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  0.170497  0.459328  0.306894  1
  Ni  Ni2  1  0.672068  0.590605  0.285750  1
  Ni  Ni3  1  0.331182  0.959328  0.306894  1
  Ni  Ni4  1  0.829611  0.090605  0.285750  1
  Ni  Ni5  1  0.168054  0.191767  0.352041  1
  Ni  Ni6  1  0.669322  0.322565  0.329861  1
  Ni  Ni7  1  0.333625  0.691767  0.352041  1
  Ni  Ni8  1  0.832357  0.822565  0.329861  1
  Ni  Ni9  1  0.167776  0.926308  0.397736  1
  Ni  Ni10  1  0.667601  0.058218  0.375143  1
  Ni  Ni11  1  0.333903  0.426308  0.397736  1
  Ni  Ni12  1  0.834078  0.558218  0.375143  1
  Ni  Ni13  1  0.167705  0.660981  0.443375  1
  Ni  Ni14  1  0.667648  0.793261  0.420655  1
  Ni  Ni15  1  0.333974  0.160981  0.443375  1
  Ni  Ni16  1  0.834031  0.293261  0.420655  1
  Ni  Ni17  1  0.167684  0.395760  0.488982  1
  Ni  Ni18  1  0.667671  0.528192  0.466223  1
  Ni  Ni19  1  0.333995  0.895760  0.488982  1
  Ni  Ni20  1  0.834008  0.028192  0.466223  1
  Ni  Ni21  1  0.167671  0.130608  0.534572  1
  Ni  Ni22  1  0.667684  0.263040  0.511813  1
  Ni  Ni23  1  0.334008  0.630608  0.534572  1
  Ni  Ni24  1  0.833995  0.763040  0.511813  1
  Ni  Ni25  1  0.167648  0.865539  0.580140  1
  Ni  Ni26  1  0.667705  0.997819  0.557421  1
  Ni  Ni27  1  0.334031  0.365539  0.580140  1
  Ni  Ni28  1  0.833974  0.497819  0.557421  1
  Ni  Ni29  1  0.167601  0.600582  0.625652  1
  Ni  Ni30  1  0.667776  0.732492  0.603060  1
  Ni  Ni31  1  0.334078  0.100582  0.625652  1
  Ni  Ni32  1  0.833903  0.232492  0.603060  1
  Ni  Ni33  1  0.169322  0.336235  0.670934  1
  Ni  Ni34  1  0.668054  0.467033  0.648754  1
  Ni  Ni35  1  0.332357  0.836235  0.670934  1
  Ni  Ni36  1  0.833625  0.967033  0.648754  1
  Ni  Ni37  1  0.172068  0.068195  0.715045  1
  Ni  Ni38  1  0.670497  0.199472  0.693901  1
  Ni  Ni39  1  0.329611  0.568195  0.715045  1
  Ni  Ni40  1  0.831182  0.699472  0.693901  1
