# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49117597
_cell_length_b   4.67961603
_cell_length_c   47.34212111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.76559016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   532.507986537
_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  0.257417  0.481527  0.315484  1
  Ni  Ni2  1  0.937776  0.121591  0.284993  1
  Ni  Ni3  1  0.863631  0.268863  0.356433  1
  Ni  Ni4  1  0.529031  0.939212  0.325325  1
  Ni  Ni5  1  0.474331  0.047193  0.396799  1
  Ni  Ni6  1  0.136041  0.725219  0.364322  1
  Ni  Ni7  1  0.085254  0.825276  0.437015  1
  Ni  Ni8  1  0.744972  0.507463  0.403978  1
  Ni  Ni9  1  0.696239  0.603362  0.477178  1
  Ni  Ni10  1  0.355298  0.286978  0.443943  1
  Ni  Ni11  1  0.307200  0.381554  0.517303  1
  Ni  Ni12  1  0.966113  0.065499  0.484020  1
  Ni  Ni13  1  0.918016  0.160074  0.557380  1
  Ni  Ni14  1  0.577075  0.843691  0.524145  1
  Ni  Ni15  1  0.528341  0.939590  0.597345  1
  Ni  Ni16  1  0.188059  0.621776  0.564308  1
  Ni  Ni17  1  0.137273  0.721833  0.637001  1
  Ni  Ni18  1  0.798983  0.399860  0.604525  1
  Ni  Ni19  1  0.744282  0.507841  0.675998  1
  Ni  Ni20  1  0.409682  0.178189  0.644890  1
  Ni  Ni21  1  0.335537  0.325462  0.716330  1
  Ni  Ni22  1  0.015896  0.965525  0.685839  1
