# generated using pymatgen
data_Yb(ScS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71992252
_cell_length_b   11.44064261
_cell_length_c   13.42948453
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb(ScS2)2
_chemical_formula_sum   'Yb4 Sc8 S16'
_cell_volume   571.53608698
_cell_formula_units_Z   4
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
  Yb  Yb0  1  0.25000000  0.24014649  0.33334135  1.0
  Yb  Yb1  1  0.75000000  0.25985351  0.83334135  1.0
  Yb  Yb2  1  0.25000000  0.74014649  0.16665865  1.0
  Yb  Yb3  1  0.75000000  0.75985351  0.66665865  1.0
  Sc  Sc4  1  0.25000000  0.08538728  0.59657248  1.0
  Sc  Sc5  1  0.25000000  0.05868409  0.11202620  1.0
  Sc  Sc6  1  0.75000000  0.41461272  0.09657248  1.0
  Sc  Sc7  1  0.75000000  0.94131591  0.88797380  1.0
  Sc  Sc8  1  0.75000000  0.44131591  0.61202620  1.0
  Sc  Sc9  1  0.25000000  0.55868409  0.38797380  1.0
  Sc  Sc10  1  0.75000000  0.91461272  0.40342752  1.0
  Sc  Sc11  1  0.25000000  0.58538728  0.90342752  1.0
  S  S12  1  0.25000000  0.87226609  0.53406244  1.0
  S  S13  1  0.25000000  0.79682013  0.82773035  1.0
  S  S14  1  0.25000000  0.96818549  0.28505674  1.0
  S  S15  1  0.75000000  0.40707216  0.42376106  1.0
  S  S16  1  0.25000000  0.46818549  0.21494326  1.0
  S  S17  1  0.25000000  0.09292784  0.92376106  1.0
  S  S18  1  0.75000000  0.20317987  0.17226965  1.0
  S  S19  1  0.75000000  0.03181451  0.71494326  1.0
  S  S20  1  0.25000000  0.59292784  0.57623894  1.0
  S  S21  1  0.75000000  0.70317987  0.32773035  1.0
  S  S22  1  0.25000000  0.29682013  0.67226965  1.0
  S  S23  1  0.25000000  0.37226609  0.96593756  1.0
  S  S24  1  0.75000000  0.62773391  0.03406244  1.0
  S  S25  1  0.75000000  0.53181451  0.78505674  1.0
  S  S26  1  0.75000000  0.12773391  0.46593756  1.0
  S  S27  1  0.75000000  0.90707216  0.07623894  1.0