# generated using pymatgen
data_H3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46846004
_cell_length_b   3.46846004
_cell_length_c   3.46846056
_cell_angle_alpha   109.40063192
_cell_angle_beta   109.40063192
_cell_angle_gamma   109.40065084
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H3S
_chemical_formula_sum   'H3 S1'
_cell_volume   32.20460739
_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  0.27261500  0.27261500  0.62497100  1.0
  H  H1  1  0.27261500  0.62497100  0.27261500  1.0
  H  H2  1  0.62497100  0.27261500  0.27261500  1.0
  S  S3  1  0.64273400  0.64273400  0.64273400  1.0