# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20065925
_cell_length_b   10.21934329
_cell_length_c   52.57183039
_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   1719.55284278
_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  0.508954  0.188846  0.298627  1
  H  H2  1  0.508954  0.894098  0.277680  1
  H  H3  1  0.508954  0.593351  0.256549  1
  H  H4  1  1.008954  0.041042  0.288252  1
  H  H5  1  1.008954  0.749261  0.266744  1
  H  H6  1  1.008954  0.335827  0.309126  1
  H  H7  1  1.008954  0.249261  0.266744  1
  H  H8  1  1.008954  0.835827  0.309126  1
  H  H9  1  1.008954  0.541042  0.288252  1
  H  H10  1  0.508954  0.093351  0.256549  1
  H  H11  1  0.508954  0.688846  0.298627  1
  H  H12  1  0.508954  0.394098  0.277680  1
  H  H13  1  0.508954  0.073088  0.360951  1
  H  H14  1  0.508954  0.778199  0.340159  1
  H  H15  1  0.508954  0.483372  0.319353  1
  H  H16  1  0.008954  0.925717  0.350561  1
  H  H17  1  0.008954  0.630782  0.329713  1
  H  H18  1  0.008954  0.220474  0.371373  1
  H  H19  1  0.008954  0.130782  0.329713  1
  H  H20  1  0.008954  0.720474  0.371373  1
  H  H21  1  0.008954  0.425717  0.350561  1
  H  H22  1  0.508954  0.983372  0.319353  1
  H  H23  1  0.508954  0.573088  0.360951  1
  H  H24  1  0.508954  0.278199  0.340159  1
  H  H25  1  0.508954  0.957465  0.423460  1
  H  H26  1  0.508954  0.662673  0.402623  1
  H  H27  1  0.508954  0.367888  0.381796  1
  H  H28  1  0.008954  0.810068  0.413043  1
  H  H29  1  0.008954  0.515286  0.392210  1
  H  H30  1  0.008954  0.104860  0.433876  1
  H  H31  1  0.008954  0.015286  0.392210  1
  H  H32  1  0.008954  0.604860  0.433876  1
  H  H33  1  0.008954  0.310068  0.413043  1
  H  H34  1  0.508954  0.867888  0.381796  1
  H  H35  1  0.508954  0.457465  0.423460  1
  H  H36  1  0.508954  0.162673  0.402623  1
  H  H37  1  0.508954  0.841834  0.485958  1
  H  H38  1  0.508954  0.547044  0.465125  1
  H  H39  1  0.508954  0.252253  0.444292  1
  H  H40  1  1.008954  0.694438  0.475541  1
  H  H41  1  0.008954  0.399649  0.454709  1
  H  H42  1  1.008954  0.989229  0.496375  1
  H  H43  1  0.008954  0.899649  0.454709  1
  H  H44  1  1.008954  0.489229  0.496375  1
  H  H45  1  0.008954  0.194438  0.475541  1
  H  H46  1  0.508954  0.752253  0.444292  1
  H  H47  1  0.508954  0.341834  0.485958  1
  H  H48  1  0.508954  0.047044  0.465125  1
  H  H49  1  0.508954  0.726197  0.548456  1
  H  H50  1  0.508954  0.431415  0.527624  1
  H  H51  1  0.508954  0.136623  0.506791  1
  H  H52  1  1.008954  0.578810  0.538043  1
  H  H53  1  1.008954  0.284017  0.517206  1
  H  H54  1  1.008954  0.873594  0.558870  1
  H  H55  1  1.008954  0.784017  0.517206  1
  H  H56  1  1.008954  0.373594  0.558870  1
  H  H57  1  1.008954  0.078810  0.538043  1
  H  H58  1  0.508954  0.636623  0.506791  1
  H  H59  1  0.508954  0.226197  0.548456  1
  H  H60  1  0.508954  0.931415  0.527624  1
  H  H61  1  0.508954  0.610701  0.610954  1
  H  H62  1  0.508954  0.315765  0.590106  1
  H  H63  1  0.508954  0.021008  0.569294  1
  H  H64  1  1.008954  0.463284  0.600508  1
  H  H65  1  1.008954  0.168394  0.579716  1
  H  H66  1  1.008954  0.758110  0.621314  1
  H  H67  1  1.008954  0.668394  0.579716  1
  H  H68  1  0.008954  0.258110  0.621314  1
  H  H69  1  1.008954  0.963284  0.600508  1
  H  H70  1  0.508954  0.521008  0.569294  1
  H  H71  1  0.508954  0.110701  0.610954  1
  H  H72  1  0.508954  0.815765  0.590106  1
  H  H73  1  0.508954  0.492221  0.673923  1
  H  H74  1  0.508954  0.200441  0.652415  1
  H  H75  1  0.508954  0.905655  0.631541  1
  H  H76  1  0.008954  0.347385  0.662987  1
  H  H77  1  0.008954  0.052636  0.642040  1
  H  H78  1  0.008954  0.648131  0.684118  1
  H  H79  1  0.008954  0.552636  0.642040  1
  H  H80  1  0.008954  0.148131  0.684118  1
  H  H81  1  0.008954  0.847385  0.662987  1
  H  H82  1  0.508954  0.405655  0.631541  1
  H  H83  1  0.508954  0.992221  0.673923  1
  H  H84  1  0.508954  0.700441  0.652415  1
