# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.73610532
_cell_length_b   18.78492214
_cell_length_c   49.98490795
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   12727.8684891
_cell_formula_units_Z   42
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  0.596591  0.265152  0.294444  1
  H  H2  1  0.096591  0.265152  0.294444  1
  H  H3  1  0.460227  0.537879  0.338889  1
  H  H4  1  0.528409  0.901515  0.316667  1
  H  H5  1  0.164773  0.628788  0.272222  1
  H  H6  1  0.028409  0.901515  0.316667  1
  H  H7  1  0.778409  0.401515  0.316667  1
  H  H8  1  0.278409  0.401515  0.316667  1
  H  H9  1  0.846591  0.765152  0.294444  1
  H  H10  1  0.914773  0.128788  0.272222  1
  H  H11  1  0.346591  0.765152  0.294444  1
  H  H12  1  0.414773  0.128788  0.272222  1
  H  H13  1  0.392045  0.174242  0.361111  1
  H  H14  1  0.892045  0.174242  0.361111  1
  H  H15  1  0.255682  0.446970  0.405556  1
  H  H16  1  0.323864  0.810606  0.383333  1
  H  H17  1  0.960227  0.537879  0.338889  1
  H  H18  1  0.823864  0.810606  0.383333  1
  H  H19  1  0.573864  0.310606  0.383333  1
  H  H20  1  0.073864  0.310606  0.383333  1
  H  H21  1  0.642045  0.674242  0.361111  1
  H  H22  1  0.710227  0.037879  0.338889  1
  H  H23  1  0.142045  0.674242  0.361111  1
  H  H24  1  0.210227  0.037879  0.338889  1
  H  H25  1  0.187500  0.083333  0.427778  1
  H  H26  1  0.687500  0.083333  0.427778  1
  H  H27  1  0.051136  0.356061  0.472222  1
  H  H28  1  0.119318  0.719697  0.450000  1
  H  H29  1  0.755682  0.446970  0.405556  1
  H  H30  1  0.619318  0.719697  0.450000  1
  H  H31  1  0.369318  0.219697  0.450000  1
  H  H32  1  0.869318  0.219697  0.450000  1
  H  H33  1  0.437500  0.583333  0.427778  1
  H  H34  1  0.505682  0.946970  0.405556  1
  H  H35  1  0.937500  0.583333  0.427778  1
  H  H36  1  0.005682  0.946970  0.405556  1
  H  H37  1  0.982955  0.992424  0.494444  1
  H  H38  1  0.482955  0.992424  0.494444  1
  H  H39  1  0.846591  0.265152  0.538889  1
  H  H40  1  0.914773  0.628788  0.516667  1
  H  H41  1  0.551136  0.356061  0.472222  1
  H  H42  1  0.414773  0.628788  0.516667  1
  H  H43  1  0.164773  0.128788  0.516667  1
  H  H44  1  0.664773  0.128788  0.516667  1
  H  H45  1  0.232955  0.492424  0.494444  1
  H  H46  1  0.301136  0.856061  0.472222  1
  H  H47  1  0.732955  0.492424  0.494444  1
  H  H48  1  0.801136  0.856061  0.472222  1
  H  H49  1  0.778409  0.901515  0.561111  1
  H  H50  1  0.278409  0.901515  0.561111  1
  H  H51  1  0.642045  0.174242  0.605556  1
  H  H52  1  0.710227  0.537879  0.583333  1
  H  H53  1  0.346591  0.265152  0.538889  1
  H  H54  1  0.210227  0.537879  0.583333  1
  H  H55  1  0.960227  0.037879  0.583333  1
  H  H56  1  0.460227  0.037879  0.583333  1
  H  H57  1  0.028409  0.401515  0.561111  1
  H  H58  1  0.096591  0.765152  0.538889  1
  H  H59  1  0.528409  0.401515  0.561111  1
  H  H60  1  0.596591  0.765152  0.538889  1
  H  H61  1  0.573864  0.810606  0.627778  1
  H  H62  1  0.073864  0.810606  0.627778  1
  H  H63  1  0.437500  0.083333  0.672222  1
  H  H64  1  0.505682  0.446970  0.650000  1
  H  H65  1  0.142045  0.174242  0.605556  1
  H  H66  1  0.005682  0.446970  0.650000  1
  H  H67  1  0.755682  0.946970  0.650000  1
  H  H68  1  0.255682  0.946970  0.650000  1
  H  H69  1  0.823864  0.310606  0.627778  1
  H  H70  1  0.892045  0.674242  0.605556  1
  H  H71  1  0.323864  0.310606  0.627778  1
  H  H72  1  0.392045  0.674242  0.605556  1
  H  H73  1  0.369318  0.719697  0.694444  1
  H  H74  1  0.869318  0.719697  0.694444  1
  H  H75  1  0.232955  0.992424  0.738889  1
  H  H76  1  0.301136  0.356061  0.716667  1
  H  H77  1  0.937500  0.083333  0.672222  1
  H  H78  1  0.801136  0.356061  0.716667  1
  H  H79  1  0.551136  0.856061  0.716667  1
  H  H80  1  0.051136  0.856061  0.716667  1
  H  H81  1  0.619318  0.219697  0.694444  1
  H  H82  1  0.687500  0.583333  0.672222  1
  H  H83  1  0.119318  0.219697  0.694444  1
  H  H84  1  0.187500  0.583333  0.672222  1
