# generated using pymatgen
data_Mo21S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.75994537
_cell_length_b   11.75994537
_cell_length_c   11.75994537
_cell_angle_alpha   91.04373190
_cell_angle_beta   91.04373190
_cell_angle_gamma   164.48680823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo21S8
_chemical_formula_sum   'Mo21 S8'
_cell_volume   431.00589361
_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
  Mo  Mo0  1  0.34774200  0.44485800  0.79260000  1.0
  Mo  Mo1  1  0.65225800  0.55514200  0.20740000  1.0
  Mo  Mo2  1  0.55514200  0.34774200  0.90288400  1.0
  Mo  Mo3  1  0.44485800  0.65225800  0.09711600  1.0
  Mo  Mo4  1  0.02212300  0.27945900  0.30158200  1.0
  Mo  Mo5  1  0.97787700  0.72054100  0.69841800  1.0
  Mo  Mo6  1  0.72054100  0.02212300  0.74266500  1.0
  Mo  Mo7  1  0.27945900  0.97787700  0.25733500  1.0
  Mo  Mo8  1  0.19459400  0.19706100  0.39165500  1.0
  Mo  Mo9  1  0.80540600  0.80293900  0.60834500  1.0
  Mo  Mo10  1  0.80293900  0.19459400  0.99753300  1.0
  Mo  Mo11  1  0.19706100  0.80540600  0.00246700  1.0
  Mo  Mo12  1  0.44832600  0.07689100  0.52521700  1.0
  Mo  Mo13  1  0.55167400  0.92310900  0.47478300  1.0
  Mo  Mo14  1  0.92310900  0.44832600  0.37143500  1.0
  Mo  Mo15  1  0.07689100  0.55167400  0.62856500  1.0
  Mo  Mo16  1  0.18450700  0.38508500  0.56959300  1.0
  Mo  Mo17  1  0.81549300  0.61491500  0.43040700  1.0
  Mo  Mo18  1  0.61491500  0.18450700  0.79942200  1.0
  Mo  Mo19  1  0.38508500  0.81549300  0.20057800  1.0
  Mo  Mo20  1  0.00000000  0.00000000  0.00000000  1.0
  S  S21  1  0.06246800  0.13420200  0.19666900  1.0
  S  S22  1  0.93753200  0.86579800  0.80333100  1.0
  S  S23  1  0.86579800  0.06246800  0.92826600  1.0
  S  S24  1  0.13420200  0.93753200  0.07173400  1.0
  S  S25  1  0.36530100  0.21306000  0.57836100  1.0
  S  S26  1  0.63469900  0.78694000  0.42163900  1.0
  S  S27  1  0.78694000  0.36530100  0.15224100  1.0
  S  S28  1  0.21306000  0.63469900  0.84775900  1.0