# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69709085
_cell_length_b   4.53976163
_cell_length_c   54.25247031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.57273852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   1026.82638686
_cell_formula_units_Z   24
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  0.169668  0.185366  0.247266  1
  H  H2  1  0.669668  0.185366  0.247266  1
  H  H3  1  0.169668  0.685366  0.247266  1
  H  H4  1  0.669668  0.685366  0.247266  1
  H  H5  1  0.871339  0.332410  0.282539  1
  H  H6  1  0.371339  0.332410  0.282539  1
  H  H7  1  0.871339  0.832410  0.282539  1
  H  H8  1  0.371339  0.832410  0.282539  1
  H  H9  1  0.572961  0.479290  0.317345  1
  H  H10  1  0.072961  0.479290  0.317345  1
  H  H11  1  0.572961  0.979290  0.317345  1
  H  H12  1  0.072961  0.979290  0.317345  1
  H  H13  1  0.274196  0.626563  0.352293  1
  H  H14  1  0.774196  0.626563  0.352293  1
  H  H15  1  0.274196  0.126563  0.352293  1
  H  H16  1  0.774196  0.126563  0.352293  1
  H  H17  1  0.976264  0.773077  0.387219  1
  H  H18  1  0.476264  0.773077  0.387219  1
  H  H19  1  0.976264  0.273077  0.387219  1
  H  H20  1  0.476264  0.273077  0.387219  1
  H  H21  1  0.675727  0.922022  0.422327  1
  H  H22  1  0.175727  0.922022  0.422327  1
  H  H23  1  0.675727  0.422022  0.422327  1
  H  H24  1  0.175727  0.422022  0.422327  1
  H  H25  1  0.979854  0.769657  0.457655  1
  H  H26  1  0.479854  0.769657  0.457655  1
  H  H27  1  0.979854  0.269657  0.457655  1
  H  H28  1  0.479854  0.269657  0.457655  1
  H  H29  1  0.679316  0.918602  0.492764  1
  H  H30  1  0.179316  0.918602  0.492764  1
  H  H31  1  0.679316  0.418602  0.492764  1
  H  H32  1  0.179316  0.418602  0.492764  1
  H  H33  1  0.381384  0.065116  0.527690  1
  H  H34  1  0.881384  0.065116  0.527690  1
  H  H35  1  0.381384  0.565116  0.527690  1
  H  H36  1  0.881384  0.565116  0.527690  1
  H  H37  1  0.082619  0.212389  0.562638  1
  H  H38  1  0.582619  0.212389  0.562638  1
  H  H39  1  0.082619  0.712389  0.562638  1
  H  H40  1  0.582619  0.712389  0.562638  1
  H  H41  1  0.784242  0.359269  0.597443  1
  H  H42  1  0.284242  0.359269  0.597443  1
  H  H43  1  0.784242  0.859269  0.597443  1
  H  H44  1  0.284242  0.859269  0.597443  1
  H  H45  1  0.485912  0.506313  0.632716  1
  H  H46  1  0.985912  0.506313  0.632716  1
  H  H47  1  0.485912  1.006313  0.632716  1
  H  H48  1  0.985912  1.006313  0.632716  1
