# generated using pymatgen
data_YScS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58535598
_cell_length_b   6.58535598
_cell_length_c   6.58535500
_cell_angle_alpha   33.54563373
_cell_angle_beta   33.54563373
_cell_angle_gamma   33.54564260
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScS2
_chemical_formula_sum   'Y1 Sc1 S2'
_cell_volume   77.67757287
_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
  Y  Y0  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  S  S2  1  0.25509809  0.25509809  0.25509809  1.0
  S  S3  1  0.74490191  0.74490191  0.74490191  1.0