# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28619328
_cell_length_b   6.10514176
_cell_length_c   48.08765533
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.17106905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   660.637347502
_cell_formula_units_Z   16
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  0.544316  0.892241  0.283901  1
  H  H2  1  0.733974  0.265024  0.295918  1
  H  H3  1  0.909707  0.624551  0.310322  1
  H  H4  1  0.097144  0.995957  0.324294  1
  H  H5  1  0.277798  0.360318  0.337214  1
  H  H6  1  0.462754  0.730203  0.350209  1
  H  H7  1  0.647705  0.099657  0.363734  1
  H  H8  1  0.832544  0.470072  0.376505  1
  H  H9  1  0.017122  0.839466  0.389521  1
  H  H10  1  0.203256  0.210869  0.402682  1
  H  H11  1  0.388181  0.581004  0.415602  1
  H  H12  1  0.573473  0.951397  0.428596  1
  H  H13  1  0.759004  0.322019  0.441698  1
  H  H14  1  0.944167  0.692363  0.454689  1
  H  H15  1  0.129403  0.062670  0.467711  1
  H  H16  1  0.314814  0.433194  0.480771  1
  H  H17  1  0.500039  0.803542  0.493789  1
  H  H18  1  0.685264  0.173889  0.506806  1
  H  H19  1  0.870675  0.544413  0.519866  1
  H  H20  1  0.055912  0.914720  0.532889  1
  H  H21  1  0.241074  0.285064  0.545879  1
  H  H22  1  0.426605  0.655686  0.558982  1
  H  H23  1  0.611897  0.026079  0.571975  1
  H  H24  1  0.796822  0.396214  0.584896  1
  H  H25  1  0.982957  0.767618  0.598057  1
  H  H26  1  0.167534  0.137011  0.611072  1
  H  H27  1  0.352374  0.507427  0.623844  1
  H  H28  1  0.537324  0.876880  0.637368  1
  H  H29  1  0.722280  0.246766  0.650364  1
  H  H30  1  0.902934  0.611127  0.663283  1
  H  H31  1  0.090372  0.982533  0.677256  1
  H  H32  1  0.266104  0.342060  0.691659  1
  H  H33  1  0.455762  0.714842  0.703677  1
