# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.23053071
_cell_length_b   2.28671796
_cell_length_c   63.51598393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.74489418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H15
_cell_volume   300.91646501
_cell_formula_units_Z   7
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  0.160581  0.908268  0.155859  1
  H  H2  1  0.720510  0.354532  0.186022  1
  H  H3  1  0.281401  0.799809  0.215881  1
  H  H4  1  0.841184  0.246084  0.245836  1
  H  H5  1  0.400901  0.692422  0.275802  1
  H  H6  1  0.960693  1.138694  0.305767  1
  H  H7  1  0.520456  0.584991  0.335732  1
  H  H8  1  0.080228  1.031281  0.365697  1
  H  H9  1  0.639999  0.477571  0.395662  1
  H  H10  1  0.199762  0.923869  0.425627  1
  H  H11  1  0.759555  0.370141  0.455592  1
  H  H12  1  0.319272  0.816479  0.485557  1
  H  H13  1  0.879055  0.262754  0.515512  1
  H  H14  1  0.439945  0.708031  0.545372  1
  H  H15  1  0.999875  1.154295  0.575535  1
