# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.80107176
_cell_length_b   7.68672332
_cell_length_c   46.53330345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.96001536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni144 H48'
_cell_volume   3834.29368531
_cell_formula_units_Z   48
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  0.857210  0.454294  0.271431  1
  Ni  Ni2  1  0.357210  0.454294  0.271431  1
  Ni  Ni3  1  0.926827  0.048730  0.283604  1
  Ni  Ni4  1  0.426827  0.048730  0.283604  1
  Ni  Ni5  1  0.071769  0.374656  0.284968  1
  Ni  Ni6  1  0.571769  0.374656  0.284968  1
  Ni  Ni7  1  0.191430  0.645450  0.297929  1
  Ni  Ni8  1  0.691430  0.645450  0.297929  1
  Ni  Ni9  1  0.164052  0.039934  0.289135  1
  Ni  Ni10  1  0.664052  0.039934  0.289135  1
  Ni  Ni11  1  0.970164  0.722411  0.283457  1
  Ni  Ni12  1  0.470164  0.722411  0.283457  1
  Ni  Ni13  1  0.775750  0.282219  0.305571  1
  Ni  Ni14  1  0.275750  0.282219  0.305571  1
  Ni  Ni15  1  0.823417  0.865360  0.317809  1
  Ni  Ni16  1  0.323417  0.865360  0.317809  1
  Ni  Ni17  1  0.986420  0.211588  0.322514  1
  Ni  Ni18  1  0.486420  0.211588  0.322514  1
  Ni  Ni19  1  0.111450  0.449035  0.336030  1
  Ni  Ni20  1  0.611450  0.449035  0.336030  1
  Ni  Ni21  1  0.059792  0.881369  0.324303  1
  Ni  Ni22  1  0.559792  0.881369  0.324303  1
  Ni  Ni23  1  0.899261  0.534167  0.320425  1
  Ni  Ni24  1  0.399261  0.534167  0.320425  1
  Ni  Ni25  1  0.690182  0.111329  0.341803  1
  Ni  Ni26  1  0.190182  0.111329  0.341803  1
  Ni  Ni27  1  0.732915  0.678567  0.353028  1
  Ni  Ni28  1  0.232915  0.678567  0.353028  1
  Ni  Ni29  1  0.899156  0.026290  0.358837  1
  Ni  Ni30  1  0.399156  0.026290  0.358837  1
  Ni  Ni31  1  0.027850  0.256579  0.374821  1
  Ni  Ni32  1  0.527850  0.256579  0.374821  1
  Ni  Ni33  1  0.974304  0.701397  0.360855  1
  Ni  Ni34  1  0.474304  0.701397  0.360855  1
  Ni  Ni35  1  0.819495  0.350644  0.357145  1
  Ni  Ni36  1  0.319495  0.350644  0.357145  1
  Ni  Ni37  1  0.607818  0.929393  0.377775  1
  Ni  Ni38  1  0.107818  0.929393  0.377775  1
  Ni  Ni39  1  0.649473  0.492543  0.390040  1
  Ni  Ni40  1  0.149473  0.492543  0.390040  1
  Ni  Ni41  1  0.812978  0.835124  0.396056  1
  Ni  Ni42  1  0.312978  0.835124  0.396056  1
  Ni  Ni43  1  0.943782  0.066637  0.412197  1
  Ni  Ni44  1  0.443782  0.066637  0.412197  1
  Ni  Ni45  1  0.897473  0.511704  0.398777  1
  Ni  Ni46  1  0.397473  0.511704  0.398777  1
  Ni  Ni47  1  0.738033  0.166254  0.394506  1
  Ni  Ni48  1  0.238033  0.166254  0.394506  1
  Ni  Ni49  1  0.524169  0.746704  0.414755  1
  Ni  Ni50  1  0.024169  0.746704  0.414755  1
  Ni  Ni51  1  0.568480  0.302946  0.427952  1
  Ni  Ni52  1  0.068480  0.302946  0.427952  1
  Ni  Ni53  1  0.727808  0.644737  0.433135  1
  Ni  Ni54  1  0.227808  0.644737  0.433135  1
  Ni  Ni55  1  0.858884  0.877762  0.449513  1
  Ni  Ni56  1  0.358884  0.877762  0.449513  1
  Ni  Ni57  1  0.815076  0.323820  0.436443  1
  Ni  Ni58  1  0.315076  0.323820  0.436443  1
  Ni  Ni59  1  0.654648  0.979076  0.431522  1
  Ni  Ni60  1  0.154648  0.979076  0.431522  1
  Ni  Ni61  1  0.440231  0.560319  0.452103  1
  Ni  Ni62  1  0.940231  0.560319  0.452103  1
  Ni  Ni63  1  0.484220  0.114266  0.465287  1
  Ni  Ni64  1  0.984220  0.114266  0.465287  1
  Ni  Ni65  1  0.643631  0.457644  0.470429  1
  Ni  Ni66  1  0.143631  0.457644  0.470429  1
  Ni  Ni67  1  0.774445  0.689554  0.486776  1
  Ni  Ni68  1  0.274445  0.689554  0.486776  1
  Ni  Ni69  1  0.730565  0.136000  0.473709  1
  Ni  Ni70  1  0.230565  0.136000  0.473709  1
  Ni  Ni71  1  0.570852  0.791792  0.468605  1
  Ni  Ni72  1  0.070852  0.791792  0.468605  1
  Ni  Ni73  1  0.356020  0.372560  0.489479  1
  Ni  Ni74  1  0.856020  0.372560  0.489479  1
  Ni  Ni75  1  0.399900  0.926114  0.502545  1
  Ni  Ni76  1  0.899900  0.926114  0.502545  1
  Ni  Ni77  1  0.559614  0.270322  0.507649  1
  Ni  Ni78  1  0.059614  0.270322  0.507649  1
  Ni  Ni79  1  0.690234  0.501795  0.524151  1
  Ni  Ni80  1  0.190234  0.501795  0.524151  1
  Ni  Ni81  1  0.646246  0.947848  0.510967  1
  Ni  Ni82  1  0.146246  0.947848  0.510967  1
  Ni  Ni83  1  0.486834  0.604470  0.505825  1
  Ni  Ni84  1  0.986834  0.604470  0.505825  1
  Ni  Ni85  1  0.271581  0.184352  0.526741  1
  Ni  Ni86  1  0.771581  0.184352  0.526741  1
  Ni  Ni87  1  0.315389  0.738294  0.539812  1
  Ni  Ni88  1  0.815389  0.738294  0.539812  1
  Ni  Ni89  1  0.475817  0.083038  0.544733  1
  Ni  Ni90  1  0.975817  0.083038  0.544733  1
  Ni  Ni91  1  0.606296  0.315410  0.561500  1
  Ni  Ni92  1  0.106296  0.315410  0.561500  1
  Ni  Ni93  1  0.561985  0.759168  0.548303  1
  Ni  Ni94  1  0.061985  0.759168  0.548303  1
  Ni  Ni95  1  0.402658  0.417377  0.543119  1
  Ni  Ni96  1  0.902658  0.417377  0.543119  1
  Ni  Ni97  1  0.186683  0.995477  0.564058  1
  Ni  Ni98  1  0.686683  0.995477  0.564058  1
  Ni  Ni99  1  0.232992  0.550410  0.577477  1
  Ni  Ni100  1  0.732992  0.550410  0.577477  1
  Ni  Ni101  1  0.392433  0.895860  0.581748  1
  Ni  Ni102  1  0.892433  0.895860  0.581748  1
  Ni  Ni103  1  0.522647  0.132721  0.598480  1
  Ni  Ni104  1  0.022647  0.132721  0.598480  1
  Ni  Ni105  1  0.480992  0.569571  0.586215  1
  Ni  Ni106  1  0.980992  0.569571  0.586215  1
  Ni  Ni107  1  0.317488  0.226990  0.580198  1
  Ni  Ni108  1  0.817488  0.226990  0.580198  1
  Ni  Ni109  1  0.102615  0.805535  0.601433  1
  Ni  Ni110  1  0.602615  0.805535  0.601433  1
  Ni  Ni111  1  0.156161  0.360717  0.615400  1
  Ni  Ni112  1  0.656161  0.360717  0.615400  1
  Ni  Ni113  1  0.310970  0.711470  0.619109  1
  Ni  Ni114  1  0.810970  0.711470  0.619109  1
  Ni  Ni115  1  0.440283  0.950785  0.634452  1
  Ni  Ni116  1  0.940283  0.950785  0.634452  1
  Ni  Ni117  1  0.397551  0.383547  0.623226  1
  Ni  Ni118  1  0.897551  0.383547  0.623226  1
  Ni  Ni119  1  0.231309  0.035824  0.617417  1
  Ni  Ni120  1  0.731309  0.035824  0.617417  1
  Ni  Ni121  1  0.019015  0.613079  0.640225  1
  Ni  Ni122  1  0.519015  0.613079  0.640225  1
  Ni  Ni123  1  0.070673  0.180744  0.651951  1
  Ni  Ni124  1  0.570673  0.180744  0.651951  1
  Ni  Ni125  1  0.231204  0.527947  0.655829  1
  Ni  Ni126  1  0.731204  0.527947  0.655829  1
  Ni  Ni127  1  0.354715  0.779895  0.670683  1
  Ni  Ni128  1  0.854715  0.779895  0.670683  1
  Ni  Ni129  1  0.307048  0.196754  0.658446  1
  Ni  Ni130  1  0.807048  0.196754  0.658446  1
  Ni  Ni131  1  0.144046  0.850526  0.653740  1
  Ni  Ni132  1  0.644046  0.850526  0.653740  1
  Ni  Ni133  1  0.939036  0.416664  0.678325  1
  Ni  Ni134  1  0.439036  0.416664  0.678325  1
  Ni  Ni135  1  0.966414  0.022180  0.687119  1
  Ni  Ni136  1  0.466414  0.022180  0.687119  1
  Ni  Ni137  1  0.160301  0.339703  0.692798  1
  Ni  Ni138  1  0.660301  0.339703  0.692798  1
  Ni  Ni139  1  0.273255  0.607820  0.704823  1
  Ni  Ni140  1  0.773255  0.607820  0.704823  1
  Ni  Ni141  1  0.203638  1.013384  0.692650  1
  Ni  Ni142  1  0.703638  1.013384  0.692650  1
  Ni  Ni143  1  0.058697  0.687457  0.691286  1
  Ni  Ni144  1  0.558697  0.687457  0.691286  1
  H  H145  1  0.931086  0.265152  0.280665  1
  H  H146  1  0.431086  0.265152  0.280665  1
  H  H147  1  0.069009  0.878213  0.283587  1
  H  H148  1  0.569009  0.878213  0.283587  1
  H  H149  1  0.828063  0.908450  0.279389  1
  H  H150  1  0.328063  0.908450  0.279389  1
  H  H151  1  0.052088  0.563805  0.300304  1
  H  H152  1  0.552088  0.563805  0.300304  1
  H  H153  1  0.775430  0.892723  0.356861  1
  H  H154  1  0.275430  0.892723  0.356861  1
  H  H155  1  0.973381  0.474086  0.361158  1
  H  H156  1  0.473381  0.474086  0.361158  1
  H  H157  1  0.677981  0.714787  0.393420  1
  H  H158  1  0.177981  0.714787  0.393420  1
  H  H159  1  0.886629  0.285469  0.398833  1
  H  H160  1  0.386629  0.285469  0.398833  1
  H  H161  1  0.580495  0.528174  0.428216  1
  H  H162  1  0.080495  0.528174  0.428216  1
  H  H163  1  0.803918  0.097172  0.436338  1
  H  H164  1  0.303918  0.097172  0.436338  1
  H  H165  1  0.494983  0.340762  0.465382  1
  H  H166  1  0.994983  0.340762  0.465382  1
  H  H167  1  0.719467  0.909224  0.473549  1
  H  H168  1  0.219467  0.909224  0.473549  1
  H  H169  1  0.410998  0.152890  0.502705  1
  H  H170  1  0.910998  0.152890  0.502705  1
  H  H171  1  0.635483  0.721352  0.510872  1
  H  H172  1  0.135483  0.721352  0.510872  1
  H  H173  1  0.326547  0.964942  0.539916  1
  H  H174  1  0.826547  0.964942  0.539916  1
  H  H175  1  0.549971  0.533940  0.548038  1
  H  H176  1  0.049971  0.533940  0.548038  1
  H  H177  1  0.243836  0.776645  0.577422  1
  H  H178  1  0.743836  0.776645  0.577422  1
  H  H179  1  0.452485  0.347327  0.582835  1
  H  H180  1  0.952485  0.347327  0.582835  1
  H  H181  1  0.157085  0.588028  0.615096  1
  H  H182  1  0.657085  0.588028  0.615096  1
  H  H183  1  0.355035  0.169391  0.619393  1
  H  H184  1  0.855035  0.169391  0.619393  1
  H  H185  1  0.078378  0.498309  0.675950  1
  H  H186  1  0.578378  0.498309  0.675950  1
  H  H187  1  0.302402  0.153664  0.696865  1
  H  H188  1  0.802402  0.153664  0.696865  1
  H  H189  1  0.061457  0.183901  0.692668  1
  H  H190  1  0.561457  0.183901  0.692668  1
  H  H191  1  0.199379  0.796962  0.695589  1
  H  H192  1  0.699379  0.796962  0.695589  1
