# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30073280
_cell_length_b   2.30073280
_cell_length_c   67.58716467
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H16
_cell_volume   309.832682859
_cell_formula_units_Z   8
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  0.259136  1.172757  0.127899  1
  H  H2  1  0.592470  0.839424  0.156065  1
  H  H3  1  0.925803  0.506091  0.183719  1
  H  H4  1  0.259136  1.172757  0.211507  1
  H  H5  1  0.592470  0.839424  0.239302  1
  H  H6  1  0.925803  0.506091  0.267096  1
  H  H7  1  0.259136  1.172757  0.294889  1
  H  H8  1  0.592470  0.839424  0.322683  1
  H  H9  1  0.925803  0.506091  0.350476  1
  H  H10  1  0.259136  1.172757  0.378269  1
  H  H11  1  0.592470  0.839424  0.406063  1
  H  H12  1  0.925803  0.506091  0.433856  1
  H  H13  1  0.259136  1.172757  0.461651  1
  H  H14  1  0.592470  0.839424  0.489440  1
  H  H15  1  0.925803  0.506091  0.517094  1
  H  H16  1  0.259136  1.172757  0.545259  1
