# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   7.45707137
_cell_length_c   47.72412867
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.16047766
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H14
_cell_volume   1339.7731281
_cell_formula_units_Z   7
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  0.620267  0.740533  0.286458  1
  H  H2  1  0.278497  0.056994  0.338542  1
  H  H3  1  0.010143  0.520286  0.348958  1
  H  H4  1  0.668373  0.836747  0.401042  1
  H  H5  1  0.400019  0.300039  0.411458  1
  H  H6  1  0.058250  0.616500  0.463542  1
  H  H7  1  0.789896  0.079792  0.473958  1
  H  H8  1  0.448126  0.396252  0.526042  1
  H  H9  1  0.179772  0.859544  0.536458  1
  H  H10  1  0.838003  0.176005  0.588542  1
  H  H11  1  0.569649  0.639297  0.598958  1
  H  H12  1  0.227879  0.955758  0.651042  1
  H  H13  1  0.959525  0.419050  0.661458  1
  H  H14  1  0.617755  0.735511  0.713542  1
