# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89824716
_cell_length_b   6.08179040
_cell_length_c   49.24030021
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.68873632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H32
_cell_volume   1105.85147822
_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  0.028408  0.057060  0.286740  1
  H  H2  1  0.635381  0.271007  0.333036  1
  H  H3  1  0.583365  0.166974  0.324236  1
  H  H4  1  0.976391  0.953026  0.277939  1
  H  H5  1  0.356776  0.713796  0.342295  1
  H  H6  1  0.963749  0.927743  0.388592  1
  H  H7  1  0.911733  0.823710  0.379791  1
  H  H8  1  0.304759  0.609763  0.333495  1
  H  H9  1  0.685144  0.370532  0.397851  1
  H  H10  1  0.292117  0.584479  0.444147  1
  H  H11  1  0.240101  0.480446  0.435347  1
  H  H12  1  0.633127  0.266499  0.389050  1
  H  H13  1  0.013512  0.027268  0.453406  1
  H  H14  1  0.620485  0.241215  0.499703  1
  H  H15  1  0.568469  0.137182  0.490902  1
  H  H16  1  0.961495  0.923235  0.444606  1
  H  H17  1  0.341880  0.684004  0.508962  1
  H  H18  1  0.948853  0.897951  0.555258  1
  H  H19  1  0.896837  0.793918  0.546458  1
  H  H20  1  0.289863  0.579971  0.500161  1
  H  H21  1  0.670248  0.340740  0.564518  1
  H  H22  1  0.277221  0.554687  0.610814  1
  H  H23  1  0.225205  0.450654  0.602013  1
  H  H24  1  0.618231  0.236707  0.555717  1
  H  H25  1  0.998616  0.997476  0.620073  1
  H  H26  1  0.605589  0.211422  0.666369  1
  H  H27  1  0.553573  0.107390  0.657569  1
  H  H28  1  0.946599  0.893443  0.611273  1
  H  H29  1  0.326984  0.654212  0.675629  1
  H  H30  1  0.933957  0.868159  0.721925  1
  H  H31  1  0.881940  0.764126  0.713125  1
  H  H32  1  0.274967  0.550179  0.666828  1
