# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45678800
_cell_length_b   13.82060601
_cell_length_c   47.38921739
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   2918.96306101
_cell_formula_units_Z   36
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  0.500000  0.813695  0.349594  1
  H  H2  1  0.500000  0.437633  0.301975  1
  H  H3  1  0.500000  0.125664  0.325784  1
  H  H4  1  0.000000  0.951181  0.317073  1
  H  H5  1  0.000000  0.639212  0.340883  1
  H  H6  1  0.000000  0.263149  0.293263  1
  H  H7  1  0.000000  0.937633  0.301975  1
  H  H8  1  0.000000  0.625664  0.325784  1
  H  H9  1  0.000000  0.313695  0.349594  1
  H  H10  1  0.500000  0.763149  0.293263  1
  H  H11  1  0.500000  0.451181  0.317073  1
  H  H12  1  0.500000  0.139212  0.340883  1
  H  H13  1  0.500000  0.877789  0.421022  1
  H  H14  1  0.500000  0.501727  0.373403  1
  H  H15  1  0.500000  0.189758  0.397213  1
  H  H16  1  0.000000  0.015275  0.388502  1
  H  H17  1  0.000000  0.703306  0.412311  1
  H  H18  1  0.000000  0.327243  0.364692  1
  H  H19  1  0.000000  0.001727  0.373403  1
  H  H20  1  0.000000  0.689758  0.397213  1
  H  H21  1  0.000000  0.377789  0.421022  1
  H  H22  1  0.500000  0.827243  0.364692  1
  H  H23  1  0.500000  0.515275  0.388502  1
  H  H24  1  0.500000  0.203306  0.412311  1
  H  H25  1  0.500000  0.941883  0.492451  1
  H  H26  1  0.500000  0.565821  0.444832  1
  H  H27  1  0.500000  0.253852  0.468641  1
  H  H28  1  0.000000  0.079369  0.459930  1
  H  H29  1  0.000000  0.767400  0.483740  1
  H  H30  1  0.000000  0.391337  0.436121  1
  H  H31  1  0.000000  0.065821  0.444832  1
  H  H32  1  0.000000  0.753852  0.468641  1
  H  H33  1  0.000000  0.441883  0.492451  1
  H  H34  1  0.500000  0.891337  0.436121  1
  H  H35  1  0.500000  0.579369  0.459930  1
  H  H36  1  0.500000  0.267400  0.483740  1
  H  H37  1  0.500000  0.005977  0.563879  1
  H  H38  1  0.500000  0.629914  0.516260  1
  H  H39  1  0.500000  0.317946  0.540070  1
  H  H40  1  0.000000  0.143462  0.531359  1
  H  H41  1  0.000000  0.831494  0.555168  1
  H  H42  1  0.000000  0.455431  0.507549  1
  H  H43  1  0.000000  0.129914  0.516260  1
  H  H44  1  0.000000  0.817946  0.540070  1
  H  H45  1  0.000000  0.505977  0.563879  1
  H  H46  1  0.500000  0.955431  0.507549  1
  H  H47  1  0.500000  0.643462  0.531359  1
  H  H48  1  0.500000  0.331494  0.555168  1
  H  H49  1  0.500000  0.070071  0.635308  1
  H  H50  1  0.500000  0.694008  0.587689  1
  H  H51  1  0.500000  0.382040  0.611498  1
  H  H52  1  0.000000  0.207556  0.602787  1
  H  H53  1  0.000000  0.895588  0.626597  1
  H  H54  1  0.000000  0.519525  0.578978  1
  H  H55  1  0.000000  0.194008  0.587689  1
  H  H56  1  0.000000  0.882040  0.611498  1
  H  H57  1  0.000000  0.570071  0.635308  1
  H  H58  1  0.500000  0.019525  0.578978  1
  H  H59  1  0.500000  0.707556  0.602787  1
  H  H60  1  0.500000  0.395588  0.626597  1
  H  H61  1  0.500000  0.134165  0.706737  1
  H  H62  1  0.500000  0.758102  0.659117  1
  H  H63  1  0.500000  0.446133  0.682927  1
  H  H64  1  0.000000  0.271650  0.674216  1
  H  H65  1  0.000000  0.959681  0.698025  1
  H  H66  1  0.000000  0.583619  0.650406  1
  H  H67  1  0.000000  0.258102  0.659117  1
  H  H68  1  0.000000  0.946133  0.682927  1
  H  H69  1  0.000000  0.634165  0.706737  1
  H  H70  1  0.500000  0.083619  0.650406  1
  H  H71  1  0.500000  0.771650  0.674216  1
  H  H72  1  0.500000  0.459681  0.698025  1
