# generated using pymatgen
data_HC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46393300
_cell_length_b   3.66394700
_cell_length_c   8.10736718
_cell_angle_alpha   88.29339026
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HC3
_chemical_formula_sum   'H2 C6'
_cell_volume   73.15857491
_cell_formula_units_Z   2
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  H0  1  0.25000000  0.23987400  0.08050300  1.0
  H  H1  1  0.75000000  0.76012600  0.91949700  1.0
  C  C2  1  0.25000000  0.32253500  0.20883000  1.0
  C  C3  1  0.75000000  0.67746500  0.79117000  1.0
  C  C4  1  0.75000000  0.37438700  0.28882500  1.0
  C  C5  1  0.75000000  0.48476600  0.45876300  1.0
  C  C6  1  0.25000000  0.51523400  0.54123700  1.0
  C  C7  1  0.25000000  0.62561300  0.71117500  1.0