# generated using pymatgen
data_H3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50784926
_cell_length_b   3.50784926
_cell_length_c   3.47241143
_cell_angle_alpha   69.02821355
_cell_angle_beta   69.02821355
_cell_angle_gamma   106.43873094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H3S
_chemical_formula_sum   'H3 S1'
_cell_volume   32.85392562
_cell_formula_units_Z   1
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  0.00826200  0.64919700  0.14134200  1.0
  H  H1  1  0.64919700  0.00826200  0.14134200  1.0
  H  H2  1  0.33221500  0.33221500  0.77561900  1.0
  S  S3  1  0.01031600  0.01031600  0.75049600  1.0