# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19752795
_cell_length_b   11.86616393
_cell_length_c   50.96177471
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   1933.6115724
_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
  H  H1  1  0.509452  0.501936  0.298337  1
  H  H2  1  0.509452  0.281282  0.260877  1
  H  H3  1  0.509452  0.893271  0.279823  1
  H  H4  1  0.009452  0.393271  0.279823  1
  H  H5  1  0.009452  0.001936  0.298337  1
  H  H6  1  0.009452  0.781282  0.260877  1
  H  H7  1  0.009452  0.584180  0.269356  1
  H  H8  1  0.009452  0.196524  0.289236  1
  H  H9  1  0.009452  0.806567  0.307841  1
  H  H10  1  0.509452  0.306567  0.307841  1
  H  H11  1  0.509452  0.084180  0.269356  1
  H  H12  1  0.509452  0.696524  0.289236  1
  H  H13  1  0.509452  0.330199  0.353820  1
  H  H14  1  0.509452  0.111313  0.316724  1
  H  H15  1  0.509452  0.720752  0.335357  1
  H  H16  1  0.009452  0.220752  0.335357  1
  H  H17  1  0.009452  0.830199  0.353820  1
  H  H18  1  0.009452  0.611313  0.316724  1
  H  H19  1  0.009452  0.415927  0.326098  1
  H  H20  1  0.009452  0.025491  0.344455  1
  H  H21  1  0.009452  0.634881  0.363000  1
  H  H22  1  0.509452  0.134881  0.363000  1
  H  H23  1  0.509452  0.915927  0.326098  1
  H  H24  1  0.509452  0.525491  0.344455  1
  H  H25  1  0.509452  0.158430  0.409307  1
  H  H26  1  0.509452  0.939666  0.372272  1
  H  H27  1  0.509452  0.549056  0.390777  1
  H  H28  1  0.009452  0.049056  0.390777  1
  H  H29  1  1.009452  0.658430  0.409307  1
  H  H30  1  0.009452  0.439666  0.372272  1
  H  H31  1  1.009452  0.244304  0.381557  1
  H  H32  1  1.009452  0.853744  0.400056  1
  H  H33  1  1.009452  0.463146  0.418560  1
  H  H34  1  0.509452  0.963146  0.418560  1
  H  H35  1  0.509452  0.744304  0.381557  1
  H  H36  1  0.509452  0.353744  0.400056  1
  H  H37  1  0.509452  0.986639  0.464849  1
  H  H38  1  0.509452  0.767835  0.427826  1
  H  H39  1  0.509452  0.377240  0.446336  1
  H  H40  1  1.009452  0.877240  0.446336  1
  H  H41  1  1.009452  0.486639  0.464849  1
  H  H42  1  1.009452  0.267835  0.427826  1
  H  H43  1  1.009452  0.072538  0.437076  1
  H  H44  1  1.009452  0.681936  0.455593  1
  H  H45  1  1.009452  0.291338  0.474108  1
  H  H46  1  0.509452  0.791338  0.474108  1
  H  H47  1  0.509452  0.572538  0.437076  1
  H  H48  1  0.509452  0.181936  0.455593  1
  H  H49  1  0.509452  0.814838  0.520394  1
  H  H50  1  0.509452  0.596038  0.483362  1
  H  H51  1  0.509452  0.205440  0.501877  1
  H  H52  1  1.009452  0.705440  0.501877  1
  H  H53  1  1.009452  0.314838  0.520394  1
  H  H54  1  1.009452  0.096038  0.483362  1
  H  H55  1  1.009452  0.900738  0.492622  1
  H  H56  1  1.009452  0.510136  0.511134  1
  H  H57  1  1.009452  0.119541  0.529644  1
  H  H58  1  0.509452  0.619541  0.529644  1
  H  H59  1  0.509452  0.400738  0.492622  1
  H  H60  1  0.509452  0.010136  0.511134  1
  H  H61  1  0.509452  0.643073  0.575913  1
  H  H62  1  0.509452  0.424230  0.538910  1
  H  H63  1  0.509452  0.033632  0.557414  1
  H  H64  1  1.009452  0.533632  0.557414  1
  H  H65  1  1.009452  0.143073  0.575913  1
  H  H66  1  1.009452  0.924230  0.538910  1
  H  H67  1  1.009452  0.728946  0.548163  1
  H  H68  1  0.009452  0.338320  0.566693  1
  H  H69  1  0.009452  0.947711  0.585198  1
  H  H70  1  0.509452  0.447711  0.585198  1
  H  H71  1  0.509452  0.228946  0.548163  1
  H  H72  1  0.509452  0.838320  0.566693  1
  H  H73  1  0.509452  0.471449  0.631372  1
  H  H74  1  0.509452  0.252495  0.594471  1
  H  H75  1  0.509452  0.861885  0.613015  1
  H  H76  1  0.009452  0.361885  0.613015  1
  H  H77  1  0.009452  0.971449  0.631372  1
  H  H78  1  0.009452  0.752495  0.594471  1
  H  H79  1  0.009452  0.557177  0.603651  1
  H  H80  1  0.009452  0.166624  0.622113  1
  H  H81  1  0.009452  0.776063  0.640746  1
  H  H82  1  0.509452  0.276063  0.640746  1
  H  H83  1  0.509452  0.057177  0.603651  1
  H  H84  1  0.509452  0.666624  0.622113  1
  H  H85  1  0.509452  0.303196  0.688114  1
  H  H86  1  0.509452  0.080809  0.649629  1
  H  H87  1  0.509452  0.690852  0.668234  1
  H  H88  1  0.009452  0.190852  0.668234  1
  H  H89  1  0.009452  0.803196  0.688114  1
  H  H90  1  0.009452  0.580809  0.649629  1
  H  H91  1  0.009452  0.385441  0.659133  1
  H  H92  1  0.009452  0.994106  0.677647  1
  H  H93  1  0.009452  0.606094  0.696593  1
  H  H94  1  0.509452  0.106094  0.696593  1
  H  H95  1  0.509452  0.885441  0.659133  1
  H  H96  1  0.509452  0.494106  0.677647  1
