# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30695446
_cell_length_b   2.30695446
_cell_length_c   50.14224473
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H12
_cell_volume   231.106653294
_cell_formula_units_Z   6
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  0.333364  0.666687  0.288516  1
  H  H2  1  0.666698  0.333354  0.327114  1
  H  H3  1  0.333364  0.666687  0.365462  1
  H  H4  1  0.666698  0.333354  0.403923  1
  H  H5  1  0.333364  0.666687  0.442394  1
  H  H6  1  0.666698  0.333354  0.480865  1
  H  H7  1  0.333364  0.666687  0.519335  1
  H  H8  1  0.666698  0.333354  0.557806  1
  H  H9  1  0.333364  0.666687  0.596277  1
  H  H10  1  0.666698  0.333354  0.634738  1
  H  H11  1  0.333364  0.666687  0.673086  1
  H  H12  1  0.666698  0.333354  0.711684  1
