# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28617502
_cell_length_b   3.70872928
_cell_length_c   58.15211517
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.48628355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   493.040582075
_cell_formula_units_Z   12
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  0.545629  0.474025  0.192710  1
  H  H2  1  0.045629  0.974025  0.211329  1
  H  H3  1  0.545629  0.474025  0.231214  1
  H  H4  1  0.045629  0.974025  0.249775  1
  H  H5  1  0.545629  0.474025  0.269279  1
  H  H6  1  0.045629  0.974025  0.288041  1
  H  H7  1  0.545629  0.474025  0.307698  1
  H  H8  1  0.045629  0.974025  0.326074  1
  H  H9  1  0.545629  0.474025  0.346624  1
  H  H10  1  0.045629  0.974025  0.363855  1
  H  H11  1  0.545629  0.974025  0.400867  1
  H  H12  1  0.045629  0.474025  0.384290  1
  H  H13  1  0.545629  0.974025  0.439260  1
  H  H14  1  0.045629  0.474025  0.422683  1
  H  H15  1  0.545629  0.474025  0.459696  1
  H  H16  1  0.045629  0.974025  0.476927  1
  H  H17  1  0.545629  0.474025  0.497477  1
  H  H18  1  0.045629  0.974025  0.515852  1
  H  H19  1  0.545629  0.474025  0.535510  1
  H  H20  1  0.045629  0.974025  0.554271  1
  H  H21  1  0.545629  0.474025  0.573776  1
  H  H22  1  0.045629  0.974025  0.592337  1
  H  H23  1  0.545629  0.474025  0.612222  1
  H  H24  1  0.045629  0.974025  0.630840  1
