# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22439605
_cell_length_b   7.48295999
_cell_length_c   49.68567840
_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   827.021429599
_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  0.747238  0.815416  0.257060  1
  H  H2  1  0.247238  0.565416  0.279029  1
  H  H3  1  0.747238  0.315416  0.257060  1
  H  H4  1  0.247238  0.065416  0.279029  1
  H  H5  1  0.747238  0.815416  0.302231  1
  H  H6  1  0.247238  0.565416  0.324242  1
  H  H7  1  0.747238  0.315416  0.302231  1
  H  H8  1  0.247238  0.065416  0.324242  1
  H  H9  1  0.747238  0.815416  0.346919  1
  H  H10  1  0.247238  0.565416  0.369321  1
  H  H11  1  0.747238  0.315416  0.346919  1
  H  H12  1  0.247238  0.065416  0.369321  1
  H  H13  1  0.747238  0.815416  0.391863  1
  H  H14  1  0.247238  0.565416  0.414341  1
  H  H15  1  0.747238  0.315416  0.391863  1
  H  H16  1  0.247238  0.065416  0.414341  1
  H  H17  1  0.747238  0.815416  0.436849  1
  H  H18  1  0.247238  0.565416  0.459342  1
  H  H19  1  0.747238  0.315416  0.436849  1
  H  H20  1  0.247238  0.065416  0.459342  1
  H  H21  1  0.747238  0.815416  0.481844  1
  H  H22  1  0.247238  0.565416  0.504337  1
  H  H23  1  0.747238  0.315416  0.481844  1
  H  H24  1  0.247238  0.065416  0.504337  1
  H  H25  1  0.747238  0.815416  0.526845  1
  H  H26  1  0.247238  0.565416  0.549323  1
  H  H27  1  0.747238  0.315416  0.526845  1
  H  H28  1  0.247238  0.065416  0.549323  1
  H  H29  1  0.747238  0.815416  0.571865  1
  H  H30  1  0.247238  0.565416  0.594267  1
  H  H31  1  0.747238  0.315416  0.571865  1
  H  H32  1  0.247238  0.065416  0.594267  1
  H  H33  1  0.747238  0.815416  0.616944  1
  H  H34  1  0.247238  0.565416  0.638955  1
  H  H35  1  0.747238  0.315416  0.616944  1
  H  H36  1  0.247238  0.065416  0.638955  1
  H  H37  1  0.747238  0.815416  0.662157  1
  H  H38  1  0.247238  0.565416  0.684126  1
  H  H39  1  0.747238  0.315416  0.662157  1
  H  H40  1  0.247238  0.065416  0.684126  1
