# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61261139
_cell_length_b   7.25631082
_cell_length_c   47.89834407
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1520.91344268
_cell_formula_units_Z   40
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  0.713389  0.550322  0.287861  1
  H  H2  1  0.932934  0.990267  0.312859  1
  H  H3  1  0.817808  0.259335  0.297810  1
  H  H4  1  0.611003  0.845556  0.277199  1
  H  H5  1  0.317808  0.259335  0.297810  1
  H  H6  1  0.111003  0.845556  0.277199  1
  H  H7  1  0.213389  0.550322  0.287861  1
  H  H8  1  0.432934  0.990267  0.312859  1
  H  H9  1  0.152877  0.430715  0.333301  1
  H  H10  1  0.376122  0.877534  0.357331  1
  H  H11  1  0.266221  0.157592  0.345861  1
  H  H12  1  0.043152  0.711012  0.323053  1
  H  H13  1  0.766221  0.157592  0.345861  1
  H  H14  1  0.543152  0.711012  0.323053  1
  H  H15  1  0.652877  0.430715  0.333301  1
  H  H16  1  0.876122  0.877534  0.357331  1
  H  H17  1  0.598739  0.322887  0.379544  1
  H  H18  1  0.820081  0.765645  0.402292  1
  H  H19  1  0.709612  0.044732  0.391103  1
  H  H20  1  0.486607  0.598463  0.367890  1
  H  H21  1  0.209612  0.044732  0.391103  1
  H  H22  1  0.986607  0.598463  0.367890  1
  H  H23  1  0.098739  0.322887  0.379544  1
  H  H24  1  0.320081  0.765645  0.402292  1
  H  H25  1  0.042654  0.210989  0.425032  1
  H  H26  1  0.264568  0.654929  0.447719  1
  H  H27  1  0.153516  0.932762  0.436367  1
  H  H28  1  0.931489  0.488544  0.413606  1
  H  H29  1  0.653516  0.932762  0.436367  1
  H  H30  1  0.431489  0.488544  0.413606  1
  H  H31  1  0.542654  0.210989  0.425032  1
  H  H32  1  0.764568  0.654929  0.447719  1
  H  H33  1  0.486701  0.099351  0.470417  1
  H  H34  1  0.708794  0.543676  0.493132  1
  H  H35  1  0.597742  0.821500  0.481776  1
  H  H36  1  0.375680  0.377239  0.459068  1
  H  H37  1  0.097742  0.821500  0.481776  1
  H  H38  1  0.875680  0.377239  0.459068  1
  H  H39  1  0.986701  0.099351  0.470417  1
  H  H40  1  0.208794  0.543676  0.493132  1
  H  H41  1  0.930892  0.988016  0.515829  1
  H  H42  1  0.152954  0.432277  0.538537  1
  H  H43  1  0.041933  0.710165  0.527188  1
  H  H44  1  0.819840  0.265841  0.504473  1
  H  H45  1  0.541933  0.710165  0.527188  1
  H  H46  1  0.319840  0.265841  0.504473  1
  H  H47  1  0.430892  0.988016  0.515829  1
  H  H48  1  0.652954  0.432277  0.538537  1
  H  H49  1  0.375118  0.876755  0.561238  1
  H  H50  1  0.597145  0.320973  0.583999  1
  H  H51  1  0.485980  0.598528  0.572573  1
  H  H52  1  0.264066  0.154587  0.549886  1
  H  H53  1  0.985980  0.598528  0.572573  1
  H  H54  1  0.764066  0.154587  0.549886  1
  H  H55  1  0.875118  0.876755  0.561238  1
  H  H56  1  0.097145  0.320973  0.583999  1
  H  H57  1  0.819022  0.764784  0.606502  1
  H  H58  1  0.042027  0.211053  0.629715  1
  H  H59  1  0.929895  0.486630  0.618061  1
  H  H60  1  0.708553  0.043871  0.595313  1
  H  H61  1  0.429895  0.486630  0.618061  1
  H  H62  1  0.208553  0.043871  0.595313  1
  H  H63  1  0.319022  0.764784  0.606502  1
  H  H64  1  0.542027  0.211053  0.629715  1
  H  H65  1  0.262413  0.651925  0.651744  1
  H  H66  1  0.485482  0.098505  0.674552  1
  H  H67  1  0.375757  0.378802  0.664304  1
  H  H68  1  0.152512  0.931983  0.640274  1
  H  H69  1  0.875757  0.378802  0.664304  1
  H  H70  1  0.652512  0.931983  0.640274  1
  H  H71  1  0.762413  0.651925  0.651744  1
  H  H72  1  0.985482  0.098505  0.674552  1
  H  H73  1  0.710826  0.550182  0.699795  1
  H  H74  1  0.917631  0.963960  0.720406  1
  H  H75  1  0.815245  0.259194  0.709744  1
  H  H76  1  0.595700  0.819249  0.684746  1
  H  H77  1  0.315245  0.259194  0.709744  1
  H  H78  1  0.095700  0.819249  0.684746  1
  H  H79  1  0.210826  0.550182  0.699795  1
  H  H80  1  0.417631  0.963960  0.720406  1
