# generated using pymatgen
data_HPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78256610
_cell_length_b   12.54164064
_cell_length_c   51.87997062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd
_chemical_formula_sum   'H84 Pd84'
_cell_volume   3667.2159308
_cell_formula_units_Z   84
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
  H  H1  1  0.960871  0.986811  0.275032  1
  H  H2  1  0.646423  0.363346  0.247559  1
  H  H3  1  0.796847  0.657671  0.261843  1
  H  H4  1  0.646423  0.863346  0.247559  1
  H  H5  1  0.796847  0.157671  0.261843  1
  H  H6  1  0.960871  0.486811  0.275032  1
  H  H7  1  0.146423  0.863346  0.247559  1
  H  H8  1  0.296847  0.157671  0.261843  1
  H  H9  1  0.460871  0.486811  0.275032  1
  H  H10  1  0.460871  0.986811  0.275032  1
  H  H11  1  0.146423  0.363346  0.247559  1
  H  H12  1  0.296847  0.657671  0.261843  1
  H  H13  1  0.427485  0.909540  0.335645  1
  H  H14  1  0.115511  0.289370  0.294526  1
  H  H15  1  0.273062  0.601870  0.315660  1
  H  H16  1  0.115511  0.789370  0.294526  1
  H  H17  1  0.273062  0.101870  0.315660  1
  H  H18  1  0.427485  0.409540  0.335645  1
  H  H19  1  0.615511  0.789370  0.294526  1
  H  H20  1  0.773062  0.101870  0.315660  1
  H  H21  1  0.927485  0.409540  0.335645  1
  H  H22  1  0.927485  0.909540  0.335645  1
  H  H23  1  0.615511  0.289370  0.294526  1
  H  H24  1  0.773062  0.601870  0.315660  1
  H  H25  1  0.889783  0.829575  0.398932  1
  H  H26  1  0.582318  0.215490  0.356666  1
  H  H27  1  0.738098  0.524745  0.382278  1
  H  H28  1  0.582318  0.715490  0.356666  1
  H  H29  1  0.738098  1.024745  0.382278  1
  H  H30  1  0.889783  0.329575  0.398932  1
  H  H31  1  0.082318  0.715490  0.356666  1
  H  H32  1  0.238098  1.024745  0.382278  1
  H  H33  1  0.389783  0.329575  0.398932  1
  H  H34  1  0.389783  0.829575  0.398932  1
  H  H35  1  0.082318  0.215490  0.356666  1
  H  H36  1  0.238098  0.524745  0.382278  1
  H  H37  1  0.358690  0.764650  0.466075  1
  H  H38  1  0.048736  0.145107  0.424689  1
  H  H39  1  0.199778  0.449263  0.440151  1
  H  H40  1  0.048736  0.645107  0.424689  1
  H  H41  1  0.199778  0.949263  0.440151  1
  H  H42  1  0.358690  0.264650  0.466075  1
  H  H43  1  0.548736  0.645107  0.424689  1
  H  H44  1  0.699778  0.949263  0.440151  1
  H  H45  1  0.858690  0.264650  0.466075  1
  H  H46  1  0.858690  0.764650  0.466075  1
  H  H47  1  0.548736  0.145107  0.424689  1
  H  H48  1  0.699778  0.449263  0.440151  1
  H  H49  1  0.820189  0.688526  0.522751  1
  H  H50  1  0.509903  0.068754  0.481370  1
  H  H51  1  0.669072  0.384434  0.506920  1
  H  H52  1  0.509903  0.568754  0.481370  1
  H  H53  1  0.669072  0.884434  0.506920  1
  H  H54  1  0.820189  0.188526  0.522751  1
  H  H55  1  1.009903  0.568754  0.481370  1
  H  H56  1  0.169072  0.884434  0.506920  1
  H  H57  1  0.320189  0.188526  0.522751  1
  H  H58  1  0.320189  0.688526  0.522751  1
  H  H59  1  1.009903  0.068754  0.481370  1
  H  H60  1  0.169072  0.384434  0.506920  1
  H  H61  1  0.287033  0.619158  0.589975  1
  H  H62  1  0.978340  1.001492  0.548042  1
  H  H63  1  0.129307  0.306985  0.566350  1
  H  H64  1  0.978340  0.501492  0.548042  1
  H  H65  1  0.129307  0.806985  0.566350  1
  H  H66  1  0.287033  0.119158  0.589975  1
  H  H67  1  0.478340  0.501492  0.548042  1
  H  H68  1  0.629307  0.806985  0.566350  1
  H  H69  1  0.787033  0.119158  0.589975  1
  H  H70  1  0.787033  0.619158  0.589975  1
  H  H71  1  0.478340  1.001492  0.548042  1
  H  H72  1  0.629307  0.306985  0.566350  1
  H  H73  1  0.756109  0.561863  0.641181  1
  H  H74  1  0.424307  0.898092  0.622917  1
  H  H75  1  0.597290  0.245109  0.645916  1
  H  H76  1  0.424307  0.398092  0.622917  1
  H  H77  1  0.597290  0.745109  0.645916  1
  H  H78  1  0.756109  0.061863  0.641181  1
  H  H79  1  0.924307  0.398092  0.622917  1
  H  H80  1  0.097290  0.745109  0.645916  1
  H  H81  1  0.256109  0.061863  0.641181  1
  H  H82  1  0.256109  0.561863  0.641181  1
  H  H83  1  0.924307  0.898092  0.622917  1
  H  H84  1  0.097290  0.245109  0.645916  1
  Pd  Pd85  1  0.863266  0.798036  0.255757  1
  Pd  Pd86  1  0.042311  0.144000  0.287721  1
  Pd  Pd87  1  0.719879  0.508539  0.251826  1
  Pd  Pd88  1  0.719879  1.008539  0.251826  1
  Pd  Pd89  1  0.863266  0.298036  0.255757  1
  Pd  Pd90  1  0.042311  0.644000  0.287721  1
  Pd  Pd91  1  0.219879  1.008539  0.251826  1
  Pd  Pd92  1  0.363266  0.298036  0.255757  1
  Pd  Pd93  1  0.542311  0.644000  0.287721  1
  Pd  Pd94  1  0.363266  0.798036  0.255757  1
  Pd  Pd95  1  0.542311  0.144000  0.287721  1
  Pd  Pd96  1  0.219879  0.508539  0.251826  1
  Pd  Pd97  1  0.354991  0.756576  0.329315  1
  Pd  Pd98  1  0.504481  0.055556  0.345468  1
  Pd  Pd99  1  0.199861  0.431385  0.303132  1
  Pd  Pd100  1  0.199861  0.931385  0.303132  1
  Pd  Pd101  1  0.354991  0.256576  0.329315  1
  Pd  Pd102  1  0.504481  0.555556  0.345468  1
  Pd  Pd103  1  0.699861  0.931385  0.303132  1
  Pd  Pd104  1  0.854991  0.256576  0.329315  1
  Pd  Pd105  1  1.004481  0.555556  0.345468  1
  Pd  Pd106  1  0.854991  0.756576  0.329315  1
  Pd  Pd107  1  1.004481  0.055556  0.345468  1
  Pd  Pd108  1  0.699861  0.431385  0.303132  1
  Pd  Pd109  1  0.814509  0.676536  0.388740  1
  Pd  Pd110  1  0.971501  0.990514  0.411486  1
  Pd  Pd111  1  0.663518  0.373880  0.370482  1
  Pd  Pd112  1  0.663518  0.873880  0.370482  1
  Pd  Pd113  1  0.814509  0.176536  0.388740  1
  Pd  Pd114  1  0.971501  0.490514  0.411486  1
  Pd  Pd115  1  0.163518  0.873880  0.370482  1
  Pd  Pd116  1  0.314509  0.176536  0.388740  1
  Pd  Pd117  1  0.471501  0.490514  0.411486  1
  Pd  Pd118  1  0.314509  0.676536  0.388740  1
  Pd  Pd119  1  0.471501  0.990514  0.411486  1
  Pd  Pd120  1  0.163518  0.373880  0.370482  1
  Pd  Pd121  1  0.279185  0.606223  0.453026  1
  Pd  Pd122  1  0.434101  0.916521  0.475032  1
  Pd  Pd123  1  0.124893  0.297422  0.431641  1
  Pd  Pd124  1  0.124893  0.797422  0.431641  1
  Pd  Pd125  1  0.279185  0.106223  0.453026  1
  Pd  Pd126  1  0.434101  0.416521  0.475032  1
  Pd  Pd127  1  0.624893  0.797422  0.431641  1
  Pd  Pd128  1  0.779185  0.106223  0.453026  1
  Pd  Pd129  1  0.934101  0.416521  0.475032  1
  Pd  Pd130  1  0.779185  0.606223  0.453026  1
  Pd  Pd131  1  0.934101  0.916521  0.475032  1
  Pd  Pd132  1  0.624893  0.297422  0.431641  1
  Pd  Pd133  1  0.743867  0.535870  0.518490  1
  Pd  Pd134  1  0.894167  0.836268  0.536315  1
  Pd  Pd135  1  0.586685  0.221458  0.494698  1
  Pd  Pd136  1  0.586685  0.721458  0.494698  1
  Pd  Pd137  1  0.743867  0.035870  0.518490  1
  Pd  Pd138  1  0.894167  0.336268  0.536315  1
  Pd  Pd139  1  0.086685  0.721458  0.494698  1
  Pd  Pd140  1  0.243867  0.035870  0.518490  1
  Pd  Pd141  1  0.394167  0.336268  0.536315  1
  Pd  Pd142  1  0.243867  0.535870  0.518490  1
  Pd  Pd143  1  0.394167  0.836268  0.536315  1
  Pd  Pd144  1  0.086685  0.221458  0.494698  1
  Pd  Pd145  1  0.202421  0.453404  0.576636  1
  Pd  Pd146  1  0.363467  0.774053  0.602506  1
  Pd  Pd147  1  0.053802  0.155474  0.561689  1
  Pd  Pd148  1  0.053802  0.655474  0.561689  1
  Pd  Pd149  1  0.202421  0.953404  0.576636  1
  Pd  Pd150  1  0.363467  0.274053  0.602506  1
  Pd  Pd151  1  0.553802  0.655474  0.561689  1
  Pd  Pd152  1  0.702421  0.953404  0.576636  1
  Pd  Pd153  1  0.863467  0.274053  0.602506  1
  Pd  Pd154  1  0.702421  0.453404  0.576636  1
  Pd  Pd155  1  0.863467  0.774053  0.602506  1
  Pd  Pd156  1  0.553802  0.155474  0.561689  1
  Pd  Pd157  1  0.673386  0.395189  0.643627  1
  Pd  Pd158  1  0.817848  0.685043  0.654866  1
  Pd  Pd159  1  0.508105  0.065659  0.617657  1
  Pd  Pd160  1  0.508105  0.565659  0.617657  1
  Pd  Pd161  1  0.673386  0.895189  0.643627  1
  Pd  Pd162  1  0.817848  0.185043  0.654866  1
  Pd  Pd163  1  1.008105  0.565659  0.617657  1
  Pd  Pd164  1  0.173386  0.895189  0.643627  1
  Pd  Pd165  1  0.317848  0.185043  0.654866  1
  Pd  Pd166  1  0.173386  0.395189  0.643627  1
  Pd  Pd167  1  0.317848  0.685043  0.654866  1
  Pd  Pd168  1  1.008105  0.065659  0.617657  1
