# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.21586231
_cell_length_b   7.67625399
_cell_length_c   48.68232822
_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   H40
_cell_volume   828.063127118
_cell_formula_units_Z   20
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  0.499153  0.638156  0.306805  1
  H  H2  1  0.499153  0.361882  0.306805  1
  H  H3  1  0.999153  0.142457  0.283457  1
  H  H4  1  -0.000847  0.857582  0.283457  1
  H  H5  1  0.499153  0.637074  0.352198  1
  H  H6  1  0.499153  0.362964  0.352198  1
  H  H7  1  -0.000847  0.136701  0.329627  1
  H  H8  1  0.999153  0.863337  0.329627  1
  H  H9  1  0.499153  0.637165  0.397598  1
  H  H10  1  0.499153  0.362873  0.397598  1
  H  H11  1  -0.000847  0.137183  0.374907  1
  H  H12  1  0.999153  0.862855  0.374907  1
  H  H13  1  0.499153  0.637171  0.443037  1
  H  H14  1  0.499153  0.362867  0.443037  1
  H  H15  1  0.999153  0.137178  0.420328  1
  H  H16  1  -0.000847  0.862860  0.420328  1
  H  H17  1  0.499153  0.637173  0.488474  1
  H  H18  1  0.499153  0.362865  0.488474  1
  H  H19  1  -0.000847  0.137175  0.465762  1
  H  H20  1  0.999153  0.862864  0.465762  1
  H  H21  1  0.499153  0.637175  0.533910  1
  H  H22  1  0.499153  0.362864  0.533910  1
  H  H23  1  0.999153  0.137173  0.511197  1
  H  H24  1  -0.000847  0.862865  0.511197  1
  H  H25  1  0.499153  0.637178  0.579344  1
  H  H26  1  0.499153  0.362860  0.579344  1
  H  H27  1  -0.000847  0.137171  0.556635  1
  H  H28  1  0.999153  0.862867  0.556635  1
  H  H29  1  0.499153  0.637183  0.624764  1
  H  H30  1  0.499153  0.362855  0.624764  1
  H  H31  1  0.999153  0.137165  0.602074  1
  H  H32  1  -0.000847  0.862873  0.602074  1
  H  H33  1  0.499153  0.636701  0.670045  1
  H  H34  1  0.499153  0.363337  0.670045  1
  H  H35  1  -0.000847  0.137074  0.647474  1
  H  H36  1  0.999153  0.862964  0.647474  1
  H  H37  1  0.499153  0.642457  0.716215  1
  H  H38  1  0.499153  0.357582  0.716215  1
  H  H39  1  0.999153  0.138156  0.692867  1
  H  H40  1  -0.000847  0.861882  0.692867  1
