# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84866230
_cell_length_b   3.04615659
_cell_length_c   46.04074585
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.24158327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H21
_cell_volume   355.204558166
_cell_formula_units_Z   10
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  0.972427  0.900867  0.288509  1
  H  H2  1  0.904185  0.761461  0.307652  1
  H  H3  1  0.823441  0.596518  0.330302  1
  H  H4  1  0.749401  0.445268  0.351071  1
  H  H5  1  0.672600  0.288378  0.372615  1
  H  H6  1  0.597129  0.134204  0.393786  1
  H  H7  1  0.521053  0.978797  0.415126  1
  H  H8  1  0.445260  0.823966  0.436387  1
  H  H9  1  0.369338  0.668871  0.457685  1
  H  H10  1  0.293473  0.513895  0.478966  1
  H  H11  1  0.217586  0.358873  0.500253  1
  H  H12  1  0.141700  0.203851  0.521540  1
  H  H13  1  0.065835  0.048875  0.542821  1
  H  H14  1  0.989913  0.893780  0.564119  1
  H  H15  1  0.914120  0.738949  0.585380  1
  H  H16  1  0.838044  0.583542  0.606720  1
  H  H17  1  0.762573  0.429368  0.627891  1
  H  H18  1  0.685772  0.272478  0.649435  1
  H  H19  1  0.611731  0.121228  0.670204  1
  H  H20  1  0.530988  0.956285  0.692854  1
  H  H21  1  0.462746  0.816880  0.711997  1
