# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28212396
_cell_length_b   7.58792607
_cell_length_c   46.38068295
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.71874531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H90
_cell_volume   1496.67197622
_cell_formula_units_Z   45
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  0.634104  0.411358  0.310894  1
  H  H2  1  0.834685  0.424604  0.294769  1
  H  H3  1  0.967438  0.078024  0.310894  1
  H  H4  1  0.004210  0.435799  0.281140  1
  H  H5  1  0.168018  0.091271  0.294769  1
  H  H6  1  0.300771  0.744691  0.310894  1
  H  H7  1  0.337544  0.102466  0.281140  1
  H  H8  1  0.501351  0.757937  0.294769  1
  H  H9  1  0.670877  0.769133  0.281140  1
  H  H10  1  0.071904  0.374230  0.356092  1
  H  H11  1  0.259388  0.386611  0.341019  1
  H  H12  1  0.405237  0.040897  0.356092  1
  H  H13  1  0.450175  0.399211  0.325681  1
  H  H14  1  0.592721  0.053278  0.341019  1
  H  H15  1  0.738571  0.707563  0.356092  1
  H  H16  1  0.783509  0.065878  0.325681  1
  H  H17  1  0.926054  0.719945  0.341019  1
  H  H18  1  0.116842  0.732544  0.325681  1
  H  H19  1  0.506030  0.336860  0.401585  1
  H  H20  1  0.694637  0.349315  0.386422  1
  H  H21  1  0.839363  0.003527  0.401585  1
  H  H22  1  0.882919  0.361749  0.371285  1
  H  H23  1  0.027970  0.015982  0.386422  1
  H  H24  1  0.172697  0.670193  0.401585  1
  H  H25  1  0.216252  0.028416  0.371285  1
  H  H26  1  0.361304  0.682649  0.386422  1
  H  H27  1  0.549586  0.695083  0.371285  1
  H  H28  1  0.940555  0.299516  0.447046  1
  H  H29  1  0.129049  0.311964  0.431892  1
  H  H30  1  0.273889  0.966183  0.447046  1
  H  H31  1  0.317574  0.324414  0.416736  1
  H  H32  1  0.462382  0.978631  0.431892  1
  H  H33  1  0.607222  0.632849  0.447046  1
  H  H34  1  0.650908  0.991081  0.416736  1
  H  H35  1  0.795715  0.645297  0.431892  1
  H  H36  1  0.984241  0.657748  0.416736  1
  H  H37  1  0.375041  0.262170  0.492511  1
  H  H38  1  0.563546  0.274618  0.477356  1
  H  H39  1  0.708374  0.928836  0.492511  1
  H  H40  1  0.752047  0.287067  0.462201  1
  H  H41  1  0.896879  0.941285  0.477356  1
  H  H42  1  0.041708  0.595503  0.492511  1
  H  H43  1  0.085380  0.953734  0.462201  1
  H  H44  1  0.230212  0.607952  0.477356  1
  H  H45  1  0.418714  0.620400  0.462201  1
  H  H46  1  0.809532  0.224824  0.537974  1
  H  H47  1  0.998033  0.237272  0.522820  1
  H  H48  1  0.142866  0.891490  0.537974  1
  H  H49  1  0.186538  0.249721  0.507665  1
  H  H50  1  0.331367  0.903939  0.522820  1
  H  H51  1  0.476199  0.558157  0.537974  1
  H  H52  1  0.519872  0.916388  0.507665  1
  H  H53  1  0.664700  0.570605  0.522820  1
  H  H54  1  0.853205  0.583054  0.507665  1
  H  H55  1  0.244005  0.187476  0.583440  1
  H  H56  1  0.432531  0.199926  0.568283  1
  H  H57  1  0.577338  0.854143  0.583440  1
  H  H58  1  0.621024  0.212374  0.553129  1
  H  H59  1  0.765864  0.866593  0.568283  1
  H  H60  1  0.910671  0.520810  0.583440  1
  H  H61  1  0.954357  0.879041  0.553129  1
  H  H62  1  0.099197  0.533260  0.568283  1
  H  H63  1  0.287690  0.545708  0.553129  1
  H  H64  1  0.678660  0.150141  0.628890  1
  H  H65  1  0.866942  0.162575  0.613753  1
  H  H66  1  0.011994  0.816808  0.628890  1
  H  H67  1  0.055549  0.175031  0.598590  1
  H  H68  1  0.200276  0.829242  0.613753  1
  H  H69  1  0.345327  0.483474  0.628890  1
  H  H70  1  0.388882  0.841697  0.598590  1
  H  H71  1  0.533609  0.495908  0.613753  1
  H  H72  1  0.722216  0.508364  0.598590  1
  H  H73  1  0.111404  0.112680  0.674495  1
  H  H74  1  0.302191  0.125279  0.659156  1
  H  H75  1  0.444737  0.779346  0.674495  1
  H  H76  1  0.489675  0.137660  0.644084  1
  H  H77  1  0.635525  0.791946  0.659156  1
  H  H78  1  0.778070  0.446013  0.674495  1
  H  H79  1  0.823009  0.804327  0.644084  1
  H  H80  1  0.968858  0.458612  0.659156  1
  H  H81  1  0.156342  0.470994  0.644084  1
  H  H82  1  0.557369  0.076091  0.719036  1
  H  H83  1  0.726895  0.087287  0.705407  1
  H  H84  1  0.890702  0.742758  0.719036  1
  H  H85  1  0.927475  0.100533  0.689281  1
  H  H86  1  0.060228  0.753953  0.705407  1
  H  H87  1  0.224035  0.409425  0.719036  1
  H  H88  1  0.260808  0.767200  0.689281  1
  H  H89  1  0.393561  0.420620  0.705407  1
  H  H90  1  0.594142  0.433866  0.689281  1
