# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84157320
_cell_length_b   3.84844559
_cell_length_c   54.32621764
_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   H40
_cell_volume   1012.23493627
_cell_formula_units_Z   20
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  0.571763  0.313655  1
  H  H2  1  0.500000  0.928237  0.359110  1
  H  H3  1  0.500000  0.071763  0.277254  1
  H  H4  1  0.500000  0.428237  0.322709  1
  H  H5  1  0.000000  0.571763  0.359110  1
  H  H6  1  0.000000  0.928237  0.313655  1
  H  H7  1  0.000000  0.071763  0.322709  1
  H  H8  1  0.000000  0.428237  0.277254  1
  H  H9  1  0.500000  0.571763  0.404564  1
  H  H10  1  0.500000  0.928237  0.450019  1
  H  H11  1  0.500000  0.071763  0.368163  1
  H  H12  1  0.500000  0.428237  0.413618  1
  H  H13  1  0.000000  0.571763  0.450019  1
  H  H14  1  0.000000  0.928237  0.404564  1
  H  H15  1  0.000000  0.071763  0.413618  1
  H  H16  1  0.000000  0.428237  0.368163  1
  H  H17  1  0.500000  0.571763  0.495473  1
  H  H18  1  0.500000  0.928237  0.540928  1
  H  H19  1  0.500000  0.071763  0.459072  1
  H  H20  1  0.500000  0.428237  0.504527  1
  H  H21  1  0.000000  0.571763  0.540928  1
  H  H22  1  0.000000  0.928237  0.495473  1
  H  H23  1  0.000000  0.071763  0.504527  1
  H  H24  1  0.000000  0.428237  0.459072  1
  H  H25  1  0.500000  0.571763  0.586382  1
  H  H26  1  0.500000  0.928237  0.631837  1
  H  H27  1  0.500000  0.071763  0.549981  1
  H  H28  1  0.500000  0.428237  0.595436  1
  H  H29  1  0.000000  0.571763  0.631837  1
  H  H30  1  0.000000  0.928237  0.586382  1
  H  H31  1  0.000000  0.071763  0.595436  1
  H  H32  1  0.000000  0.428237  0.549981  1
  H  H33  1  0.500000  0.571763  0.677291  1
  H  H34  1  0.500000  0.928237  0.722746  1
  H  H35  1  0.500000  0.071763  0.640890  1
  H  H36  1  0.500000  0.428237  0.686345  1
  H  H37  1  0.000000  0.571763  0.722746  1
  H  H38  1  0.000000  0.928237  0.677291  1
  H  H39  1  0.000000  0.071763  0.686345  1
  H  H40  1  0.000000  0.428237  0.640890  1
