# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41166311
_cell_length_b   5.70540473
_cell_length_c   54.64604806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.28468413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   1762.76746702
_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  0.284876  0.977412  0.211236  1
  H  H2  1  0.951542  0.977412  0.211236  1
  H  H3  1  0.618209  0.977412  0.211236  1
  H  H4  1  0.554823  0.516234  0.218646  1
  H  H5  1  0.221489  0.516234  0.218646  1
  H  H6  1  0.888156  0.516234  0.218646  1
  H  H7  1  0.220932  0.182481  0.243898  1
  H  H8  1  0.887598  0.182481  0.243898  1
  H  H9  1  0.554265  0.182481  0.243898  1
  H  H10  1  0.496631  0.733550  0.250824  1
  H  H11  1  0.163297  0.733550  0.250824  1
  H  H12  1  0.829964  0.733550  0.250824  1
  H  H13  1  0.161989  0.398052  0.275075  1
  H  H14  1  0.828656  0.398052  0.275075  1
  H  H15  1  0.495323  0.398052  0.275075  1
  H  H16  1  0.437574  0.949026  0.282718  1
  H  H17  1  0.104241  0.949026  0.282718  1
  H  H18  1  0.770907  0.949026  0.282718  1
  H  H19  1  0.102099  0.611713  0.306628  1
  H  H20  1  0.768765  0.611713  0.306628  1
  H  H21  1  0.435432  0.611713  0.306628  1
  H  H22  1  0.378775  0.164927  0.314423  1
  H  H23  1  1.045441  0.164927  0.314423  1
  H  H24  1  0.712108  0.164927  0.314423  1
  H  H25  1  1.042654  0.826295  0.338209  1
  H  H26  1  0.709321  0.826295  0.338209  1
  H  H27  1  0.375988  0.826295  0.338209  1
  H  H28  1  0.319606  0.380059  0.346117  1
  H  H29  1  0.986273  0.380059  0.346117  1
  H  H30  1  0.652939  0.380059  0.346117  1
  H  H31  1  0.983184  0.040820  0.369815  1
  H  H32  1  0.649850  0.040820  0.369815  1
  H  H33  1  0.316517  0.040820  0.369815  1
  H  H34  1  0.260342  0.594999  0.377771  1
  H  H35  1  0.927009  0.594999  0.377771  1
  H  H36  1  0.593676  0.594999  0.377771  1
  H  H37  1  0.923776  0.255469  0.401429  1
  H  H38  1  0.590442  0.255469  0.401429  1
  H  H39  1  0.257109  0.255469  0.401429  1
  H  H40  1  0.201007  0.809793  0.409407  1
  H  H41  1  0.867673  0.809793  0.409407  1
  H  H42  1  0.534340  0.809793  0.409407  1
  H  H43  1  0.864397  0.470177  0.433053  1
  H  H44  1  0.531064  0.470177  0.433053  1
  H  H45  1  0.197731  0.470177  0.433053  1
  H  H46  1  0.141628  1.024502  0.441031  1
  H  H47  1  0.808295  1.024502  0.441031  1
  H  H48  1  0.474962  1.024502  0.441031  1
  H  H49  1  0.805062  0.684971  0.464689  1
  H  H50  1  0.471728  0.684971  0.464689  1
  H  H51  1  0.138395  0.684971  0.464689  1
  H  H52  1  0.082220  0.239150  0.472645  1
  H  H53  1  0.748887  0.239150  0.472645  1
  H  H54  1  0.415554  0.239150  0.472645  1
  H  H55  1  0.745798  0.899911  0.496343  1
  H  H56  1  0.412465  0.899911  0.496343  1
  H  H57  1  0.079131  0.899911  0.496343  1
  H  H58  1  1.022750  0.453675  0.504251  1
  H  H59  1  0.689416  0.453675  0.504251  1
  H  H60  1  0.356083  0.453675  0.504251  1
  H  H61  1  0.686629  0.115043  0.528037  1
  H  H62  1  0.353296  0.115043  0.528037  1
  H  H63  1  1.019963  0.115043  0.528037  1
  H  H64  1  0.963305  0.668257  0.535832  1
  H  H65  1  0.629972  0.668257  0.535832  1
  H  H66  1  0.296639  0.668257  0.535832  1
  H  H67  1  0.627830  0.330945  0.559742  1
  H  H68  1  0.294497  0.330945  0.559742  1
  H  H69  1  0.961164  0.330945  0.559742  1
  H  H70  1  0.903415  0.881919  0.567385  1
  H  H71  1  0.570081  0.881919  0.567385  1
  H  H72  1  0.236748  0.881919  0.567385  1
  H  H73  1  0.568773  0.546421  0.591636  1
  H  H74  1  0.235440  0.546421  0.591636  1
  H  H75  1  0.902107  0.546421  0.591636  1
  H  H76  1  0.844472  0.097490  0.598562  1
  H  H77  1  0.511139  0.097490  0.598562  1
  H  H78  1  0.177806  0.097490  0.598562  1
  H  H79  1  0.510581  0.763737  0.623814  1
  H  H80  1  0.177248  0.763737  0.623814  1
  H  H81  1  0.843915  0.763737  0.623814  1
  H  H82  1  0.780528  0.302559  0.631224  1
  H  H83  1  0.447195  0.302559  0.631224  1
  H  H84  1  0.113862  0.302559  0.631224  1
