# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75598491
_cell_length_b   6.08334651
_cell_length_c   46.77512373
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.71040156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   1599.16382201
_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  -0.000068  0.667368  0.300910  1
  H  H2  1  0.453687  0.241549  0.281679  1
  H  H3  1  0.386251  0.106676  0.275588  1
  H  H4  1  0.932493  0.532501  0.294818  1
  H  H5  1  0.425744  0.518992  0.339372  1
  H  H6  1  0.879500  0.093163  0.320142  1
  H  H7  1  0.812060  0.958295  0.314050  1
  H  H8  1  0.358304  0.384125  0.333280  1
  H  H9  1  0.851556  0.370616  0.377833  1
  H  H10  1  0.305312  0.944787  0.358603  1
  H  H11  1  0.237872  0.809919  0.352511  1
  H  H12  1  0.784116  0.235748  0.371741  1
  H  H13  1  0.277368  0.222240  0.416295  1
  H  H14  1  0.731124  0.796411  0.397065  1
  H  H15  1  0.663684  0.661543  0.390973  1
  H  H16  1  0.209928  0.087372  0.410203  1
  H  H17  1  0.703180  0.073864  0.454756  1
  H  H18  1  0.156936  0.648035  0.435526  1
  H  H19  1  0.089495  0.513167  0.429434  1
  H  H20  1  0.635740  0.938996  0.448664  1
  H  H21  1  0.128992  0.925488  0.493218  1
  H  H22  1  0.582747  0.499659  0.473988  1
  H  H23  1  0.515307  0.364791  0.467896  1
  H  H24  1  0.061552  0.790620  0.487126  1
  H  H25  1  0.554804  0.777112  0.531679  1
  H  H26  1  0.008559  0.351283  0.512449  1
  H  H27  1  0.941119  0.216415  0.506357  1
  H  H28  1  0.487364  0.642244  0.525587  1
  H  H29  1  0.980616  0.628736  0.570141  1
  H  H30  1  0.434371  0.202906  0.550911  1
  H  H31  1  0.366931  0.068039  0.544819  1
  H  H32  1  0.913176  0.493868  0.564049  1
  H  H33  1  0.406428  0.480360  0.608603  1
  H  H34  1  0.860183  0.054530  0.589373  1
  H  H35  1  0.792743  0.919662  0.583280  1
  H  H36  1  0.338988  0.345492  0.602510  1
  H  H37  1  0.832240  0.331983  0.647064  1
  H  H38  1  0.285995  0.906154  0.627834  1
  H  H39  1  0.218555  0.771286  0.621742  1
  H  H40  1  0.764800  0.197116  0.640972  1
  H  H41  1  0.258052  0.183607  0.685526  1
  H  H42  1  0.711807  0.757778  0.666296  1
  H  H43  1  0.644367  0.622910  0.660203  1
  H  H44  1  0.190612  0.048739  0.679433  1
  H  H45  1  0.683861  0.035227  0.723987  1
  H  H46  1  0.137618  0.609402  0.704757  1
  H  H47  1  0.070179  0.474534  0.698665  1
  H  H48  1  0.616425  0.900354  0.717896  1
