# generated using pymatgen
data_CeScS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52666540
_cell_length_b   7.18960587
_cell_length_c   9.59404885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeScS3
_chemical_formula_sum   'Ce4 Sc4 S12'
_cell_volume   450.19260530
_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
  Ce  Ce0  1  0.96542175  0.90286997  0.75000000  1.0
  Ce  Ce1  1  0.46542175  0.59713003  0.25000000  1.0
  Ce  Ce2  1  0.53457825  0.40286997  0.75000000  1.0
  Ce  Ce3  1  0.03457825  0.09713003  0.25000000  1.0
  Sc  Sc4  1  0.50000000  0.00000000  0.50000000  1.0
  Sc  Sc5  1  0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc6  1  0.00000000  0.50000000  0.00000000  1.0
  Sc  Sc7  1  0.50000000  0.00000000  0.00000000  1.0
  S  S8  1  0.82133544  0.18775329  0.56068065  1.0
  S  S9  1  0.32133544  0.31224671  0.43931935  1.0
  S  S10  1  0.67866456  0.68775329  0.93931935  1.0
  S  S11  1  0.17866456  0.81224671  0.06068065  1.0
  S  S12  1  0.17866456  0.81224671  0.43931935  1.0
  S  S13  1  0.67866456  0.68775329  0.56068065  1.0
  S  S14  1  0.32133544  0.31224671  0.06068065  1.0
  S  S15  1  0.82133544  0.18775329  0.93931935  1.0
  S  S16  1  0.62494507  0.96368052  0.25000000  1.0
  S  S17  1  0.12494507  0.53631948  0.75000000  1.0
  S  S18  1  0.87505493  0.46368052  0.25000000  1.0
  S  S19  1  0.37505493  0.03631948  0.75000000  1.0