# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.17973473
_cell_length_b   6.81744101
_cell_length_c   45.09689810
_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   H30
_cell_volume   670.149509836
_cell_formula_units_Z   15
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  0.386324  0.108560  0.351988  1
  H  H2  1  0.386324  0.775226  0.351988  1
  H  H3  1  0.386324  0.441893  0.351988  1
  H  H4  1  0.886324  0.941893  0.392038  1
  H  H5  1  0.886324  0.608560  0.392038  1
  H  H6  1  0.886324  0.275226  0.392038  1
  H  H7  1  0.386324  0.775226  0.431449  1
  H  H8  1  0.386324  0.441893  0.431449  1
  H  H9  1  0.386324  0.108560  0.431449  1
  H  H10  1  0.886324  0.608560  0.471044  1
  H  H11  1  0.886324  0.275226  0.471044  1
  H  H12  1  0.886324  0.941893  0.471044  1
  H  H13  1  0.386324  0.441893  0.510665  1
  H  H14  1  0.386324  0.108560  0.510665  1
  H  H15  1  0.386324  0.775226  0.510665  1
  H  H16  1  0.886324  0.275226  0.550286  1
  H  H17  1  0.886324  0.941893  0.550286  1
  H  H18  1  0.886324  0.608560  0.550286  1
  H  H19  1  0.386324  0.108560  0.589907  1
  H  H20  1  0.386324  0.775226  0.589907  1
  H  H21  1  0.386324  0.441893  0.589907  1
  H  H22  1  0.886324  0.941893  0.629502  1
  H  H23  1  0.886324  0.608560  0.629502  1
  H  H24  1  0.886324  0.275226  0.629502  1
  H  H25  1  0.386324  0.775226  0.668914  1
  H  H26  1  0.386324  0.441893  0.668914  1
  H  H27  1  0.386324  0.108560  0.668914  1
  H  H28  1  0.886324  0.608560  0.708964  1
  H  H29  1  0.886324  0.275226  0.708964  1
  H  H30  1  0.886324  0.941893  0.708964  1
