# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.36637199
_cell_length_b   12.78432007
_cell_length_c   47.70984973
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   49.86741775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   10430.1355312
_cell_formula_units_Z   54
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  0.232044  0.227309  0.293056  1
  H  H2  1  0.861355  0.162038  0.309722  1
  H  H3  1  0.232044  0.727309  0.293056  1
  H  H4  1  0.602733  0.792581  0.276389  1
  H  H5  1  0.861355  0.662038  0.309722  1
  H  H6  1  0.602733  0.292581  0.276389  1
  H  H7  1  0.052447  0.357645  0.323611  1
  H  H8  1  0.793826  0.988188  0.290278  1
  H  H9  1  0.052447  0.857645  0.323611  1
  H  H10  1  0.423136  0.922916  0.306944  1
  H  H11  1  0.793826  0.488188  0.290278  1
  H  H12  1  0.423136  0.422916  0.306944  1
  H  H13  1  0.119976  0.531495  0.343056  1
  H  H14  1  0.749286  0.466223  0.359722  1
  H  H15  1  0.119976  0.031495  0.343056  1
  H  H16  1  0.490665  0.096766  0.326389  1
  H  H17  1  0.749286  0.966223  0.359722  1
  H  H18  1  0.490665  0.596766  0.326389  1
  H  H19  1  0.940378  0.661830  0.373611  1
  H  H20  1  0.681757  0.292373  0.340278  1
  H  H21  1  0.940378  0.161830  0.373611  1
  H  H22  1  0.311068  0.227102  0.356944  1
  H  H23  1  0.681757  0.792373  0.340278  1
  H  H24  1  0.311068  0.727102  0.356944  1
  H  H25  1  0.007907  0.835680  0.393056  1
  H  H26  1  0.637218  0.770409  0.409722  1
  H  H27  1  0.007907  0.335680  0.393056  1
  H  H28  1  0.378597  0.400952  0.376389  1
  H  H29  1  0.637218  0.270409  0.409722  1
  H  H30  1  0.378597  0.900952  0.376389  1
  H  H31  1  0.828310  0.966016  0.423611  1
  H  H32  1  0.569689  0.596559  0.390278  1
  H  H33  1  0.828310  0.466016  0.423611  1
  H  H34  1  0.198999  0.531287  0.406944  1
  H  H35  1  0.569689  0.096559  0.390278  1
  H  H36  1  0.198999  0.031287  0.406944  1
  H  H37  1  0.895839  0.139866  0.443056  1
  H  H38  1  0.525150  0.074594  0.459722  1
  H  H39  1  0.895839  0.639866  0.443056  1
  H  H40  1  0.266528  0.705137  0.426389  1
  H  H41  1  0.525150  0.574594  0.459722  1
  H  H42  1  0.266528  0.205137  0.426389  1
  H  H43  1  0.716242  0.270201  0.473611  1
  H  H44  1  0.457621  0.900744  0.440278  1
  H  H45  1  0.716242  0.770201  0.473611  1
  H  H46  1  0.086931  0.835473  0.456944  1
  H  H47  1  0.457621  0.400744  0.440278  1
  H  H48  1  0.086931  0.335473  0.456944  1
  H  H49  1  0.783771  0.444051  0.493056  1
  H  H50  1  0.413081  0.378780  0.509722  1
  H  H51  1  0.783771  0.944051  0.493056  1
  H  H52  1  0.154460  0.009323  0.476389  1
  H  H53  1  0.413081  0.878780  0.509722  1
  H  H54  1  0.154460  0.509323  0.476389  1
  H  H55  1  0.604173  0.574387  0.523611  1
  H  H56  1  0.345552  0.204930  0.490278  1
  H  H57  1  0.604173  0.074387  0.523611  1
  H  H58  1  0.974863  0.139658  0.506944  1
  H  H59  1  0.345552  0.704930  0.490278  1
  H  H60  1  0.974863  0.639658  0.506944  1
  H  H61  1  0.671702  0.748237  0.543056  1
  H  H62  1  0.301013  0.682965  0.559722  1
  H  H63  1  0.671702  0.248237  0.543056  1
  H  H64  1  0.042392  0.313508  0.526389  1
  H  H65  1  0.301013  0.182965  0.559722  1
  H  H66  1  0.042392  0.813508  0.526389  1
  H  H67  1  0.492105  0.878572  0.573611  1
  H  H68  1  0.233484  0.509115  0.540278  1
  H  H69  1  0.492105  0.378572  0.573611  1
  H  H70  1  0.862794  0.443844  0.556944  1
  H  H71  1  0.233484  0.009115  0.540278  1
  H  H72  1  0.862794  0.943844  0.556944  1
  H  H73  1  0.559634  0.052422  0.593056  1
  H  H74  1  0.188945  0.987150  0.609722  1
  H  H75  1  0.559634  0.552422  0.593056  1
  H  H76  1  0.930323  0.617694  0.576389  1
  H  H77  1  0.188945  0.487150  0.609722  1
  H  H78  1  0.930323  0.117694  0.576389  1
  H  H79  1  0.380037  0.182758  0.623611  1
  H  H80  1  0.121416  0.813301  0.590278  1
  H  H81  1  0.380037  0.682758  0.623611  1
  H  H82  1  0.750726  0.748029  0.606944  1
  H  H83  1  0.121416  0.313301  0.590278  1
  H  H84  1  0.750726  0.248029  0.606944  1
  H  H85  1  0.447566  0.356607  0.643056  1
  H  H86  1  0.076876  0.291336  0.659722  1
  H  H87  1  0.447566  0.856607  0.643056  1
  H  H88  1  0.818255  0.921879  0.626389  1
  H  H89  1  0.076876  0.791336  0.659722  1
  H  H90  1  0.818255  0.421879  0.626389  1
  H  H91  1  0.267968  0.486943  0.673611  1
  H  H92  1  0.009347  0.117486  0.640278  1
  H  H93  1  0.267968  0.986943  0.673611  1
  H  H94  1  0.638658  0.052215  0.656944  1
  H  H95  1  0.009347  0.617486  0.640278  1
  H  H96  1  0.638658  0.552215  0.656944  1
  H  H97  1  0.335497  0.660793  0.693056  1
  H  H98  1  0.964808  0.595521  0.709722  1
  H  H99  1  0.335497  0.160793  0.693056  1
  H  H100  1  0.706187  0.226064  0.676389  1
  H  H101  1  0.964808  0.095521  0.709722  1
  H  H102  1  0.706187  0.726064  0.676389  1
  H  H103  1  0.155900  0.791128  0.723611  1
  H  H104  1  0.897279  0.421671  0.690278  1
  H  H105  1  0.155900  0.291128  0.723611  1
  H  H106  1  0.526589  0.356400  0.706944  1
  H  H107  1  0.897279  0.921671  0.690278  1
  H  H108  1  0.526589  0.856400  0.706944  1
