# generated using pymatgen
data_NiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95980527
_cell_length_b   10.14702382
_cell_length_c   44.57031279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH3
_chemical_formula_sum   'Ni32 H96'
_cell_volume   1338.58976917
_cell_formula_units_Z   32
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  0.764894  0.881492  0.316439  1
  Ni  Ni2  1  0.764894  0.460723  0.339944  1
  Ni  Ni3  1  0.264894  0.694345  0.339694  1
  Ni  Ni4  1  0.264894  0.261904  0.324926  1
  Ni  Ni5  1  0.764894  0.138280  0.361909  1
  Ni  Ni6  1  0.764894  0.752716  0.391725  1
  Ni  Ni7  1  0.264894  0.926090  0.362335  1
  Ni  Ni8  1  0.264894  0.535701  0.383423  1
  Ni  Ni9  1  0.764894  0.407124  0.423252  1
  Ni  Ni10  1  0.764894  0.056063  0.445408  1
  Ni  Ni11  1  0.264894  0.203861  0.408353  1
  Ni  Ni12  1  0.264894  0.843809  0.437396  1
  Ni  Ni13  1  0.764894  0.712192  0.476509  1
  Ni  Ni14  1  0.764894  0.354377  0.502963  1
  Ni  Ni15  1  0.264894  0.502245  0.467431  1
  Ni  Ni16  1  0.264894  0.147373  0.490360  1
  Ni  Ni17  1  0.764894  0.024136  0.531263  1
  Ni  Ni18  1  0.764894  0.669264  0.554192  1
  Ni  Ni19  1  0.264894  0.817132  0.518659  1
  Ni  Ni20  1  0.264894  0.459317  0.545113  1
  Ni  Ni21  1  0.764894  0.327700  0.584227  1
  Ni  Ni22  1  0.764894  -0.032352  0.613269  1
  Ni  Ni23  1  0.264894  0.115446  0.576215  1
  Ni  Ni24  1  0.264894  0.764385  0.598371  1
  Ni  Ni25  1  0.764894  0.635808  0.638199  1
  Ni  Ni26  1  0.764894  0.245419  0.659288  1
  Ni  Ni27  1  0.264894  0.418793  0.629898  1
  Ni  Ni28  1  0.264894  0.033229  0.659714  1
  Ni  Ni29  1  0.764894  0.909605  0.696697  1
  Ni  Ni30  1  0.764894  0.477164  0.681929  1
  Ni  Ni31  1  0.264894  0.710785  0.681679  1
  Ni  Ni32  1  0.264894  0.290016  0.705183  1
  H  H33  1  0.264894  0.096610  0.341197  1
  H  H34  1  0.264894  0.435548  0.305858  1
  H  H35  1  0.264894  0.956852  0.293186  1
  H  H36  1  0.264894  0.539617  0.335958  1
  H  H37  1  0.264894  0.837390  0.322194  1
  H  H38  1  0.264894  0.207420  0.288216  1
  H  H39  1  0.764894  0.715695  0.312095  1
  H  H40  1  0.764894  0.877247  0.278397  1
  H  H41  1  0.764894  0.624727  0.290633  1
  H  H42  1  0.764894  0.177994  0.315770  1
  H  H43  1  0.764894  -0.004455  0.340644  1
  H  H44  1  0.764894  0.360773  0.302511  1
  H  H45  1  0.264894  0.376269  0.403225  1
  H  H46  1  0.264894  0.732375  0.374282  1
  H  H47  1  0.264894  0.220913  0.363242  1
  H  H48  1  0.264894  0.853038  0.398207  1
  H  H49  1  0.264894  0.084400  0.379913  1
  H  H50  1  0.264894  0.401773  0.349225  1
  H  H51  1  0.764894  0.948424  0.377393  1
  H  H52  1  0.764894  0.291521  0.338453  1
  H  H53  1  0.764894  0.809643  0.350753  1
  H  H54  1  0.764894  0.452342  0.379854  1
  H  H55  1  0.764894  0.267676  0.394927  1
  H  H56  1  0.764894  0.608572  0.360162  1
  H  H57  1  0.264894  0.679242  0.456870  1
  H  H58  1  0.264894  0.025740  0.426658  1
  H  H59  1  0.264894  0.498043  0.425348  1
  H  H60  1  0.264894  0.146527  0.448450  1
  H  H61  1  0.264894  0.356195  0.437606  1
  H  H62  1  0.264894  0.695495  0.408425  1
  H  H63  1  0.764894  0.223750  0.429245  1
  H  H64  1  0.764894  0.571553  0.402092  1
  H  H65  1  0.764894  0.118086  0.403983  1
  H  H66  1  0.764894  0.751877  0.435215  1
  H  H67  1  0.764894  0.553343  0.451943  1
  H  H68  1  0.764894  0.894869  0.422383  1
  H  H69  1  0.264894  -0.008205  0.510896  1
  H  H70  1  0.264894  0.327422  0.483007  1
  H  H71  1  0.264894  0.807349  0.477542  1
  H  H72  1  0.264894  0.449495  0.505735  1
  H  H73  1  0.264894  0.665658  0.491269  1
  H  H74  1  0.264894  0.005987  0.460978  1
  H  H75  1  0.764894  0.530402  0.486030  1
  H  H76  1  0.764894  0.877996  0.456395  1
  H  H77  1  0.764894  0.408315  0.463527  1
  H  H78  1  0.764894  0.059472  0.488349  1
  H  H79  1  0.764894  0.868028  0.504513  1
  H  H80  1  0.764894  0.199593  0.475955  1
  H  H81  1  0.264894  0.293513  0.565228  1
  H  H82  1  0.264894  0.641107  0.535592  1
  H  H83  1  0.264894  0.112036  0.533274  1
  H  H84  1  0.264894  0.763193  0.558096  1
  H  H85  1  0.264894  -0.028084  0.545667  1
  H  H86  1  0.264894  0.303480  0.517110  1
  H  H87  1  0.764894  0.844087  0.538616  1
  H  H88  1  0.764894  0.179714  0.510727  1
  H  H89  1  0.764894  0.722014  0.515887  1
  H  H90  1  0.764894  0.364160  0.544080  1
  H  H91  1  0.764894  0.165521  0.560644  1
  H  H92  1  0.764894  0.505851  0.530353  1
  H  H93  1  0.264894  0.599956  0.619531  1
  H  H94  1  0.264894  0.947759  0.592378  1
  H  H95  1  0.264894  0.419632  0.586408  1
  H  H96  1  0.264894  0.053423  0.617640  1
  H  H97  1  0.264894  0.276640  0.599240  1
  H  H98  1  0.264894  0.618166  0.569680  1
  H  H99  1  0.764894  0.145769  0.594965  1
  H  H100  1  0.764894  0.492267  0.564753  1
  H  H101  1  0.764894  0.024982  0.573172  1
  H  H102  1  0.764894  0.673466  0.596275  1
  H  H103  1  0.764894  0.476014  0.613197  1
  H  H104  1  0.764894  0.815314  0.584017  1
  H  H105  1  0.264894  0.879988  0.683169  1
  H  H106  1  0.264894  0.223085  0.644229  1
  H  H107  1  0.264894  0.719167  0.641768  1
  H  H108  1  0.264894  0.361866  0.670869  1
  H  H109  1  0.264894  0.562937  0.661460  1
  H  H110  1  0.264894  0.903833  0.626695  1
  H  H111  1  0.764894  0.439134  0.647341  1
  H  H112  1  0.764894  0.795240  0.618398  1
  H  H113  1  0.764894  0.318471  0.623415  1
  H  H114  1  0.764894  0.950596  0.658381  1
  H  H115  1  0.764894  0.769736  0.672398  1
  H  H116  1  0.764894  0.087109  0.641710  1
  H  H117  1  0.264894  0.294262  0.743226  1
  H  H118  1  0.264894  0.455814  0.709528  1
  H  H119  1  0.264894  -0.006485  0.705853  1
  H  H120  1  0.264894  0.546782  0.730990  1
  H  H121  1  0.264894  0.810736  0.719112  1
  H  H122  1  0.264894  0.175964  0.680979  1
  H  H123  1  0.764894  0.735961  0.715764  1
  H  H124  1  0.764894  0.074899  0.680425  1
  H  H125  1  0.764894  0.631892  0.685665  1
  H  H126  1  0.764894  0.214657  0.728436  1
  H  H127  1  0.764894  -0.035911  0.733406  1
  H  H128  1  0.764894  0.334119  0.699429  1
