# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46014840
_cell_length_b   6.30570107
_cell_length_c   70.74400510
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H90
_cell_volume   1830.19345061
_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  0.154562  0.679314  0.120752  1
  H  H2  1  0.654562  0.679314  0.120752  1
  H  H3  1  0.224272  1.031013  0.111495  1
  H  H4  1  1.077961  0.339148  0.130874  1
  H  H5  1  0.724272  1.031013  0.111495  1
  H  H6  1  0.577961  0.339148  0.130874  1
  H  H7  1  0.918936  0.650726  0.150477  1
  H  H8  1  0.418936  0.650726  0.150477  1
  H  H9  1  0.996779  0.992557  0.140982  1
  H  H10  1  0.840204  0.306325  0.160199  1
  H  H11  1  0.496779  0.992557  0.140982  1
  H  H12  1  0.340204  0.306325  0.160199  1
  H  H13  1  0.682500  0.618349  0.179762  1
  H  H14  1  0.182500  0.618349  0.179762  1
  H  H15  1  0.760505  0.962297  0.170082  1
  H  H16  1  0.603674  0.274592  0.189551  1
  H  H17  1  0.260505  0.962297  0.170082  1
  H  H18  1  1.103674  0.274592  0.189551  1
  H  H19  1  0.445805  0.586568  0.209127  1
  H  H20  1  0.945805  0.586568  0.209127  1
  H  H21  1  0.524402  0.930442  0.199376  1
  H  H22  1  0.366999  0.242641  0.218913  1
  H  H23  1  1.024402  0.930442  0.199376  1
  H  H24  1  0.866999  0.242641  0.218913  1
  H  H25  1  0.209190  0.554703  0.238485  1
  H  H26  1  0.709190  0.554703  0.238485  1
  H  H27  1  0.287962  0.898631  0.228713  1
  H  H28  1  0.130324  0.210766  0.248270  1
  H  H29  1  0.787962  0.898631  0.228713  1
  H  H30  1  0.630324  0.210766  0.248270  1
  H  H31  1  0.972560  0.522852  0.267839  1
  H  H32  1  0.472560  0.522852  0.267839  1
  H  H33  1  1.051396  0.866792  0.258060  1
  H  H34  1  0.893684  0.178906  0.277624  1
  H  H35  1  0.551396  0.866792  0.258060  1
  H  H36  1  0.393684  0.178906  0.277624  1
  H  H37  1  0.735931  0.491002  0.297193  1
  H  H38  1  0.235931  0.491002  0.297193  1
  H  H39  1  0.814791  0.834948  0.287410  1
  H  H40  1  0.657055  0.147054  0.306977  1
  H  H41  1  0.314791  0.834948  0.287410  1
  H  H42  1  0.157055  0.147054  0.306977  1
  H  H43  1  0.499303  0.459151  0.326546  1
  H  H44  1  0.999303  0.459151  0.326546  1
  H  H45  1  0.578174  0.803099  0.316762  1
  H  H46  1  0.420433  1.115203  0.336329  1
  H  H47  1  1.078174  0.803099  0.316762  1
  H  H48  1  0.920433  1.115203  0.336329  1
  H  H49  1  0.262676  0.427301  0.355899  1
  H  H50  1  0.762676  0.427301  0.355899  1
  H  H51  1  0.341551  0.771249  0.346114  1
  H  H52  1  0.183815  1.083355  0.365681  1
  H  H53  1  0.841551  0.771249  0.346114  1
  H  H54  1  0.683815  1.083355  0.365681  1
  H  H55  1  1.026046  0.395450  0.385252  1
  H  H56  1  0.526046  0.395450  0.385252  1
  H  H57  1  1.104923  0.739396  0.375467  1
  H  H58  1  0.947211  1.051510  0.395031  1
  H  H59  1  0.604923  0.739396  0.375467  1
  H  H60  1  0.447211  1.051510  0.395031  1
  H  H61  1  0.789416  0.363600  0.414607  1
  H  H62  1  0.289416  0.363600  0.414607  1
  H  H63  1  0.868282  0.707537  0.404821  1
  H  H64  1  0.710644  1.019671  0.424378  1
  H  H65  1  0.368282  0.707537  0.404821  1
  H  H66  1  0.210644  1.019671  0.424378  1
  H  H67  1  0.552802  0.331735  0.443965  1
  H  H68  1  1.052802  0.331735  0.443965  1
  H  H69  1  0.631608  0.675662  0.434178  1
  H  H70  1  0.474204  0.987861  0.453715  1
  H  H71  1  0.131608  0.675662  0.434178  1
  H  H72  1  0.974204  0.987861  0.453715  1
  H  H73  1  0.316107  0.299954  0.473329  1
  H  H74  1  0.816107  0.299954  0.473329  1
  H  H75  1  0.394932  0.643710  0.463540  1
  H  H76  1  0.238101  0.956006  0.483010  1
  H  H77  1  0.894932  0.643710  0.463540  1
  H  H78  1  0.738101  0.956006  0.483010  1
  H  H79  1  1.079671  0.267576  0.502615  1
  H  H80  1  0.579671  0.267576  0.502615  1
  H  H81  1  0.158402  0.611978  0.492892  1
  H  H82  1  1.001827  0.925746  0.512109  1
  H  H83  1  0.658402  0.611978  0.492892  1
  H  H84  1  0.501827  0.925746  0.512109  1
  H  H85  1  0.844045  0.238989  0.532339  1
  H  H86  1  0.344045  0.238989  0.532339  1
  H  H87  1  0.920646  0.579154  0.522217  1
  H  H88  1  0.774334  0.887290  0.541597  1
  H  H89  1  0.420646  0.579154  0.522217  1
  H  H90  1  0.274334  0.887290  0.541597  1
