# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76392039
_cell_length_b   7.47861766
_cell_length_c   51.31836291
_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   H72
_cell_volume   1444.55657142
_cell_formula_units_Z   36
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  0.998844  0.084408  0.244798  1
  H  H2  1  1.001430  0.333581  0.271707  1
  H  H3  1  0.929097  0.584408  0.244798  1
  H  H4  1  0.926511  0.833581  0.271707  1
  H  H5  1  0.501430  0.081840  0.271707  1
  H  H6  1  0.498844  0.331012  0.244798  1
  H  H7  1  0.426511  0.581840  0.271707  1
  H  H8  1  0.429097  0.831012  0.244798  1
  H  H9  1  1.003898  0.083241  0.296622  1
  H  H10  1  1.005028  0.333206  0.321528  1
  H  H11  1  0.924042  0.583241  0.296622  1
  H  H12  1  0.922913  0.833206  0.321528  1
  H  H13  1  0.505028  0.082214  0.321528  1
  H  H14  1  0.503898  0.332180  0.296622  1
  H  H15  1  0.422913  0.582214  0.321528  1
  H  H16  1  0.424042  0.832180  0.296622  1
  H  H17  1  1.005870  0.082934  0.346410  1
  H  H18  1  1.006184  0.332977  0.371360  1
  H  H19  1  0.922071  0.582934  0.346410  1
  H  H20  1  0.921757  0.832977  0.371360  1
  H  H21  1  0.506184  0.082443  0.371360  1
  H  H22  1  0.505870  0.332486  0.346410  1
  H  H23  1  0.421757  0.582443  0.371360  1
  H  H24  1  0.422071  0.832486  0.346410  1
  H  H25  1  1.006474  0.082768  0.396305  1
  H  H26  1  1.006569  0.332851  0.421249  1
  H  H27  1  0.921467  0.582768  0.396305  1
  H  H28  1  0.921372  0.832851  0.421249  1
  H  H29  1  0.506569  0.082569  0.421249  1
  H  H30  1  0.506474  0.332653  0.396305  1
  H  H31  1  0.421372  0.582569  0.421249  1
  H  H32  1  0.421467  0.832653  0.396305  1
  H  H33  1  1.006643  0.082662  0.446190  1
  H  H34  1  1.006643  0.332758  0.471132  1
  H  H35  1  0.921298  0.582662  0.446190  1
  H  H36  1  0.921298  0.832758  0.471132  1
  H  H37  1  0.506643  0.082662  0.471132  1
  H  H38  1  0.506643  0.332758  0.446190  1
  H  H39  1  0.421298  0.582662  0.471132  1
  H  H40  1  0.421298  0.832758  0.446190  1
  H  H41  1  1.006569  0.082569  0.496072  1
  H  H42  1  1.006474  0.332653  0.521017  1
  H  H43  1  0.921372  0.582569  0.496072  1
  H  H44  1  0.921467  0.832653  0.521017  1
  H  H45  1  0.506474  0.082768  0.521017  1
  H  H46  1  0.506569  0.332851  0.496072  1
  H  H47  1  0.421467  0.582768  0.521017  1
  H  H48  1  0.421372  0.832851  0.496072  1
  H  H49  1  1.006184  0.082443  0.545962  1
  H  H50  1  1.005870  0.332486  0.570911  1
  H  H51  1  0.921757  0.582443  0.545962  1
  H  H52  1  0.922071  0.832486  0.570911  1
  H  H53  1  0.505870  0.082934  0.570911  1
  H  H54  1  0.506184  0.332977  0.545962  1
  H  H55  1  0.422071  0.582934  0.570911  1
  H  H56  1  0.421757  0.832977  0.545962  1
  H  H57  1  1.005028  0.082214  0.595793  1
  H  H58  1  1.003898  0.332180  0.620699  1
  H  H59  1  0.922913  0.582214  0.595793  1
  H  H60  1  0.924042  0.832180  0.620699  1
  H  H61  1  0.503898  0.083241  0.620699  1
  H  H62  1  0.505028  0.333206  0.595793  1
  H  H63  1  0.424042  0.583241  0.620699  1
  H  H64  1  0.422913  0.833206  0.595793  1
  H  H65  1  1.001430  0.081840  0.645615  1
  H  H66  1  0.998844  0.331012  0.672524  1
  H  H67  1  0.926511  0.581840  0.645615  1
  H  H68  1  0.929097  0.831012  0.672524  1
  H  H69  1  0.498844  0.084408  0.672524  1
  H  H70  1  0.501430  0.333581  0.645615  1
  H  H71  1  0.429097  0.584408  0.672524  1
  H  H72  1  0.426511  0.833581  0.645615  1
