# generated using pymatgen
data_Sc9Re4S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49971487
_cell_length_b   8.65131374
_cell_length_c   8.65131229
_cell_angle_alpha   120.00258189
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc9Re4S
_chemical_formula_sum   'Sc18 Re8 S2'
_cell_volume   550.91898741
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.54941425  0.80355436  0.60710521  1.0
  Sc  Sc1  1  0.54939353  0.80354854  0.19645146  1.0
  Sc  Sc2  1  0.54941425  0.39289479  0.19644564  1.0
  Sc  Sc3  1  0.45058575  0.19644564  0.39289479  1.0
  Sc  Sc4  1  0.45060647  0.19645146  0.80354854  1.0
  Sc  Sc5  1  0.45058575  0.60710521  0.80355436  1.0
  Sc  Sc6  1  0.04941425  0.19644564  0.39289479  1.0
  Sc  Sc7  1  0.04939353  0.19645146  0.80354854  1.0
  Sc  Sc8  1  0.04941425  0.60710521  0.80355436  1.0
  Sc  Sc9  1  0.95058575  0.80355436  0.60710521  1.0
  Sc  Sc10  1  0.95060647  0.80354854  0.19645146  1.0
  Sc  Sc11  1  0.95058575  0.39289479  0.19644564  1.0
  Sc  Sc12  1  0.75000000  0.45786626  0.91573048  1.0
  Sc  Sc13  1  0.75000000  0.45784951  0.54215049  1.0
  Sc  Sc14  1  0.75000000  0.08426952  0.54213374  1.0
  Sc  Sc15  1  0.25000000  0.54213374  0.08426952  1.0
  Sc  Sc16  1  0.25000000  0.54215049  0.45784951  1.0
  Sc  Sc17  1  0.25000000  0.91573048  0.45786626  1.0
  Re  Re18  1  0.75000000  0.10733367  0.21466627  1.0
  Re  Re19  1  0.75000000  0.10735308  0.89264692  1.0
  Re  Re20  1  0.75000000  0.78533373  0.89266633  1.0
  Re  Re21  1  0.25000000  0.89266633  0.78533373  1.0
  Re  Re22  1  0.25000000  0.89264692  0.10735308  1.0
  Re  Re23  1  0.25000000  0.21466627  0.10733367  1.0
  Re  Re24  1  0.50000000  0.00000000  0.00000000  1.0
  Re  Re25  1  0.00000000  0.00000000  0.00000000  1.0
  S  S26  1  0.75000000  0.66668641  0.33331359  1.0
  S  S27  1  0.25000000  0.33331359  0.66668641  1.0