# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38594802
_cell_length_b   5.38594802
_cell_length_c   93.13119115
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni84 H28'
_cell_volume   2339.64574578
_cell_formula_units_Z   28
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  0.559636  1.173733  0.100559  1
  Ni  Ni2  1  0.720821  0.824868  0.058951  1
  Ni  Ni3  1  0.390137  1.012191  0.079333  1
  Ni  Ni4  1  1.059633  0.657422  0.100559  1
  Ni  Ni5  1  0.220823  0.345453  0.058951  1
  Ni  Ni6  1  0.890137  0.488857  0.079333  1
  Ni  Ni7  1  0.559241  0.674129  0.100560  1
  Ni  Ni8  1  0.721165  0.324540  0.058950  1
  Ni  Ni9  1  0.390556  0.511785  0.079333  1
  Ni  Ni10  1  1.059243  1.157808  0.100560  1
  Ni  Ni11  1  0.221163  0.845129  0.058950  1
  Ni  Ni12  1  0.890557  0.988447  0.079333  1
  Ni  Ni13  1  0.228012  0.825341  0.165505  1
  Ni  Ni14  1  0.392654  0.505809  0.122942  1
  Ni  Ni15  1  1.061284  0.655661  0.144223  1
  Ni  Ni16  1  0.728003  0.338375  0.165504  1
  Ni  Ni17  1  0.892661  0.992058  0.122941  1
  Ni  Ni18  1  0.561283  1.173304  0.144222  1
  Ni  Ni19  1  0.229541  0.323812  0.165503  1
  Ni  Ni20  1  0.391719  1.006728  0.122942  1
  Ni  Ni21  1  1.059755  1.157149  0.144223  1
  Ni  Ni22  1  0.729546  0.836812  0.165504  1
  Ni  Ni23  1  0.891711  0.493007  0.122943  1
  Ni  Ni24  1  0.559753  0.674793  0.144223  1
  Ni  Ni25  1  0.899699  0.499135  0.230432  1
  Ni  Ni26  1  1.059861  1.160745  0.187872  1
  Ni  Ni27  1  0.726637  0.340646  0.209154  1
  Ni  Ni28  1  0.399687  0.989050  0.230433  1
  Ni  Ni29  1  0.559890  0.672147  0.187872  1
  Ni  Ni30  1  0.226611  0.826203  0.209154  1
  Ni  Ni31  1  0.894435  1.004359  0.230436  1
  Ni  Ni32  1  1.063536  0.657092  0.187869  1
  Ni  Ni33  1  0.732297  0.835116  0.209151  1
  Ni  Ni34  1  0.394473  0.494192  0.230435  1
  Ni  Ni35  1  0.563525  1.168581  0.187870  1
  Ni  Ni36  1  0.232294  0.320639  0.209151  1
  Ni  Ni37  1  0.557402  1.165880  0.295364  1
  Ni  Ni38  1  0.735220  0.828097  0.252804  1
  Ni  Ni39  1  0.403688  0.986236  0.274082  1
  Ni  Ni40  1  1.057424  0.669856  0.295367  1
  Ni  Ni41  1  0.235178  0.322522  0.252800  1
  Ni  Ni42  1  0.903821  0.492221  0.274085  1
  Ni  Ni43  1  0.568551  0.654764  0.295363  1
  Ni  Ni44  1  0.725434  0.337867  0.252803  1
  Ni  Ni45  1  0.389607  0.500286  0.274082  1
  Ni  Ni46  1  1.068622  1.158649  0.295366  1
  Ni  Ni47  1  0.225358  0.832377  0.252801  1
  Ni  Ni48  1  0.889728  1.006304  0.274085  1
  Ni  Ni49  1  0.234938  0.821511  0.360295  1
  Ni  Ni50  1  0.390142  0.501346  0.317731  1
  Ni  Ni51  1  1.053863  0.671155  0.339013  1
  Ni  Ni52  1  0.734917  0.320477  0.360294  1
  Ni  Ni53  1  0.890144  1.003049  0.317733  1
  Ni  Ni54  1  0.553817  1.169480  0.339013  1
  Ni  Ni55  1  0.221715  0.334743  0.360295  1
  Ni  Ni56  1  0.402870  0.988606  0.317732  1
  Ni  Ni57  1  1.071039  1.153978  0.339014  1
  Ni  Ni58  1  0.721711  0.833676  0.360294  1
  Ni  Ni59  1  0.902851  0.490346  0.317732  1
  Ni  Ni60  1  0.570992  0.652303  0.339013  1
  Ni  Ni61  1  0.885224  0.500397  0.425222  1
  Ni  Ni62  1  1.069079  1.154221  0.382661  1
  Ni  Ni63  1  0.737435  0.316891  0.403942  1
  Ni  Ni64  1  0.385225  1.000606  0.425222  1
  Ni  Ni65  1  0.569085  0.653823  0.382661  1
  Ni  Ni66  1  0.237444  0.817244  0.403942  1
  Ni  Ni67  1  0.901216  0.984407  0.425222  1
  Ni  Ni68  1  1.054736  0.668563  0.382662  1
  Ni  Ni69  1  0.717779  0.836548  0.403942  1
  Ni  Ni70  1  0.401222  0.484606  0.425222  1
  Ni  Ni71  1  0.554738  1.168170  0.382661  1
  Ni  Ni72  1  0.217789  0.336898  0.403942  1
  Ni  Ni73  1  0.576291  1.129551  0.488764  1
  Ni  Ni74  1  0.714318  0.839091  0.447611  1
  Ni  Ni75  1  0.369132  1.011745  0.468833  1
  Ni  Ni76  1  1.076291  0.629508  0.488764  1
  Ni  Ni77  1  0.214318  0.339148  0.447611  1
  Ni  Ni78  1  0.869132  0.511697  0.468833  1
  Ni  Ni79  1  0.530248  0.675594  0.488764  1
  Ni  Ni80  1  0.739837  0.313571  0.447611  1
  Ni  Ni81  1  0.412438  0.468439  0.468833  1
  Ni  Ni82  1  1.030246  1.175553  0.488764  1
  Ni  Ni83  1  0.239836  0.813630  0.447611  1
  Ni  Ni84  1  0.912439  0.968390  0.468833  1
  H  H85  1  0.554063  0.662024  0.051184  1
  H  H86  1  1.054062  1.174793  0.051185  1
  H  H87  1  0.553863  1.162237  0.051185  1
  H  H88  1  1.053864  0.674996  0.051184  1
  H  H89  1  0.225717  0.332133  0.111766  1
  H  H90  1  0.725713  0.833256  0.111766  1
  H  H91  1  0.225954  0.831902  0.111765  1
  H  H92  1  0.725958  0.333011  0.111765  1
  H  H93  1  0.895718  0.997736  0.176686  1
  H  H94  1  0.395708  0.497075  0.176687  1
  H  H95  1  0.894786  0.498666  0.176688  1
  H  H96  1  0.394800  0.997958  0.176688  1
  H  H97  1  0.562734  0.663457  0.241618  1
  H  H98  1  1.062711  1.165452  0.241616  1
  H  H99  1  0.564722  1.161449  0.241620  1
  H  H100  1  1.064707  0.663440  0.241618  1
  H  H101  1  0.230099  0.329224  0.306550  1
  H  H102  1  0.730098  0.828229  0.306548  1
  H  H103  1  0.229434  0.829878  0.306549  1
  H  H104  1  0.729411  0.328932  0.306548  1
  H  H105  1  0.894868  0.994510  0.371478  1
  H  H106  1  0.394877  0.494790  0.371478  1
  H  H107  1  0.895366  0.494008  0.371478  1
  H  H108  1  0.395368  0.994303  0.371478  1
  H  H109  1  0.562287  0.657446  0.436400  1
  H  H110  1  1.062287  1.157380  0.436400  1
  H  H111  1  0.558131  1.161601  0.436400  1
  H  H112  1  1.058129  0.661538  0.436400  1
