# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89798792
_cell_length_b   15.54736850
_cell_length_c   48.65289983
_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   H84
_cell_volume   2948.5338079
_cell_formula_units_Z   42
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  0.249911  0.498231  0.294905  1
  H  H2  1  0.249911  0.768727  0.336572  1
  H  H3  1  0.749911  0.133479  0.315739  1
  H  H4  1  0.749911  0.331564  0.294905  1
  H  H5  1  0.749911  0.602060  0.336572  1
  H  H6  1  0.249911  0.966812  0.315739  1
  H  H7  1  0.749911  0.288712  0.288304  1
  H  H8  1  0.749911  0.559209  0.329971  1
  H  H9  1  0.249911  0.923960  0.309138  1
  H  H10  1  0.249911  0.455379  0.288304  1
  H  H11  1  0.249911  0.725875  0.329971  1
  H  H12  1  0.749911  0.090627  0.309138  1
  H  H13  1  0.749911  0.403975  0.357405  1
  H  H14  1  0.749911  0.674471  0.399072  1
  H  H15  1  0.249911  0.039223  0.378239  1
  H  H16  1  0.249911  0.237308  0.357405  1
  H  H17  1  0.249911  0.507805  0.399072  1
  H  H18  1  0.749911  0.872557  0.378239  1
  H  H19  1  0.249911  0.194457  0.350804  1
  H  H20  1  0.249911  0.464953  0.392471  1
  H  H21  1  0.749911  0.829705  0.371638  1
  H  H22  1  0.749911  0.361123  0.350804  1
  H  H23  1  0.749911  0.631620  0.392471  1
  H  H24  1  0.249911  0.996371  0.371638  1
  H  H25  1  0.249911  0.309719  0.419905  1
  H  H26  1  0.249911  0.580216  0.461572  1
  H  H27  1  0.749911  0.944968  0.440739  1
  H  H28  1  0.749911  0.143053  0.419905  1
  H  H29  1  0.749911  0.413549  0.461572  1
  H  H30  1  0.249911  0.778301  0.440739  1
  H  H31  1  0.749911  0.100201  0.413304  1
  H  H32  1  0.749911  0.370697  0.454971  1
  H  H33  1  0.249911  0.735449  0.434138  1
  H  H34  1  0.249911  0.266868  0.413304  1
  H  H35  1  0.249911  0.537364  0.454971  1
  H  H36  1  0.749911  0.902116  0.434138  1
  H  H37  1  0.749911  0.215464  0.482405  1
  H  H38  1  0.749911  0.485960  0.524072  1
  H  H39  1  0.249911  0.850712  0.503239  1
  H  H40  1  0.249911  0.048797  0.482405  1
  H  H41  1  0.249911  0.319293  0.524072  1
  H  H42  1  0.749911  0.684045  0.503239  1
  H  H43  1  0.249911  0.005945  0.475804  1
  H  H44  1  0.249911  0.276442  0.517471  1
  H  H45  1  0.749911  0.641194  0.496638  1
  H  H46  1  0.749911  0.172612  0.475804  1
  H  H47  1  0.749911  0.443108  0.517471  1
  H  H48  1  0.249911  0.807860  0.496638  1
  H  H49  1  0.249911  0.121208  0.544905  1
  H  H50  1  0.249911  0.391704  0.586572  1
  H  H51  1  0.749911  0.756456  0.565739  1
  H  H52  1  0.749911  0.954541  0.544905  1
  H  H53  1  0.749911  0.225038  0.586572  1
  H  H54  1  0.249911  0.589790  0.565739  1
  H  H55  1  0.749911  0.911690  0.538304  1
  H  H56  1  0.749911  0.182186  0.579971  1
  H  H57  1  0.249911  0.546938  0.559138  1
  H  H58  1  0.249911  0.078356  0.538304  1
  H  H59  1  0.249911  0.348853  0.579971  1
  H  H60  1  0.749911  0.713605  0.559138  1
  H  H61  1  0.749911  0.026952  0.607405  1
  H  H62  1  0.749911  0.297449  0.649072  1
  H  H63  1  0.249911  0.662201  0.628239  1
  H  H64  1  0.249911  0.860286  0.607405  1
  H  H65  1  0.249911  0.130782  0.649072  1
  H  H66  1  0.749911  0.495534  0.628239  1
  H  H67  1  0.249911  0.817434  0.600804  1
  H  H68  1  0.249911  0.087930  0.642471  1
  H  H69  1  0.749911  0.452682  0.621638  1
  H  H70  1  0.749911  0.984101  0.600804  1
  H  H71  1  0.749911  0.254597  0.642471  1
  H  H72  1  0.249911  0.619349  0.621638  1
  H  H73  1  0.249911  0.932697  0.669905  1
  H  H74  1  0.249911  0.203193  0.711572  1
  H  H75  1  0.749911  0.567945  0.690739  1
  H  H76  1  0.749911  0.766030  0.669905  1
  H  H77  1  0.749911  0.036526  0.711572  1
  H  H78  1  0.249911  0.401278  0.690739  1
  H  H79  1  0.749911  0.723178  0.663304  1
  H  H80  1  0.749911  0.993675  0.704971  1
  H  H81  1  0.249911  0.358427  0.684138  1
  H  H82  1  0.249911  0.889845  0.663304  1
  H  H83  1  0.249911  0.160341  0.704971  1
  H  H84  1  0.749911  0.525093  0.684138  1
