# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45666817
_cell_length_b   4.81476850
_cell_length_c   48.03993224
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.78305345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   549.421135263
_cell_formula_units_Z   22
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  0.604913  0.200483  0.294906  1
  Ni  Ni2  1  0.339286  0.669192  0.299949  1
  Ni  Ni3  1  0.999803  0.990262  0.333714  1
  Ni  Ni4  1  0.733856  0.458344  0.339750  1
  Ni  Ni5  1  0.395911  0.782482  0.373472  1
  Ni  Ni6  1  0.129631  0.249903  0.379815  1
  Ni  Ni7  1  0.792196  0.575058  0.413554  1
  Ni  Ni8  1  0.525633  0.041913  0.419950  1
  Ni  Ni9  1  0.188355  0.367383  0.453645  1
  Ni  Ni10  1  0.921742  0.834137  0.460074  1
  Ni  Ni11  1  0.584514  0.159708  0.493749  1
  Ni  Ni12  1  0.317875  0.626412  0.500184  1
  Ni  Ni13  1  0.980648  0.951983  0.533859  1
  Ni  Ni14  1  0.714035  0.418737  0.540287  1
  Ni  Ni15  1  0.376757  0.744207  0.573982  1
  Ni  Ni16  1  0.110194  0.211062  0.580379  1
  Ni  Ni17  1  0.772758  0.536217  0.614118  1
  Ni  Ni18  1  0.506479  1.003638  0.620461  1
  Ni  Ni19  1  0.168533  0.327776  0.654183  1
  Ni  Ni20  1  0.902586  0.795858  0.660219  1
  Ni  Ni21  1  0.563103  0.116928  0.693984  1
  Ni  Ni22  1  0.297477  0.585637  0.699027  1
