# generated using pymatgen
data_W21S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12056000
_cell_length_b   11.92871082
_cell_length_c   11.92871082
_cell_angle_alpha   89.01969350
_cell_angle_beta   82.48415391
_cell_angle_gamma   82.48415391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W21S8
_chemical_formula_sum   'W21 S8'
_cell_volume   436.44048625
_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
  W  W0  1  0.34441800  0.09731800  0.21384600  1.0
  W  W1  1  0.65558200  0.90268200  0.78615400  1.0
  W  W2  1  0.55826400  0.78615400  0.09731800  1.0
  W  W3  1  0.44173600  0.21384600  0.90268200  1.0
  W  W4  1  0.01396100  0.26473700  0.70734100  1.0
  W  W5  1  0.98603900  0.73526300  0.29265900  1.0
  W  W6  1  0.72130200  0.29265900  0.26473700  1.0
  W  W7  1  0.27869800  0.70734100  0.73526300  1.0
  W  W8  1  0.19210000  0.00558500  0.61021500  1.0
  W  W9  1  0.80790000  0.99441500  0.38978500  1.0
  W  W10  1  0.80231500  0.38978500  0.00558500  1.0
  W  W11  1  0.19768500  0.61021500  0.99441500  1.0
  W  W12  1  0.45065200  0.62791500  0.47078000  1.0
  W  W13  1  0.54934800  0.37208500  0.52921900  1.0
  W  W14  1  0.92143300  0.52921900  0.62791500  1.0
  W  W15  1  0.07856700  0.47078000  0.37208500  1.0
  W  W16  1  0.18771200  0.19183000  0.43274500  1.0
  W  W17  1  0.81228800  0.80817000  0.56725500  1.0
  W  W18  1  0.62045800  0.56725500  0.19183000  1.0
  W  W19  1  0.37954200  0.43274500  0.80817000  1.0
  W  W20  1  0.00000000  0.00000000  0.00000000  1.0
  S  S21  1  0.06003300  0.07457800  0.80535600  1.0
  S  S22  1  0.93996700  0.92542200  0.19464400  1.0
  S  S23  1  0.86538900  0.19464400  0.07457800  1.0
  S  S24  1  0.13461100  0.80535600  0.92542200  1.0
  S  S25  1  0.37282200  0.84159800  0.41275800  1.0
  S  S26  1  0.62717800  0.15840200  0.58724200  1.0
  S  S27  1  0.78558000  0.58724200  0.84159800  1.0
  S  S28  1  0.21442000  0.41275800  0.15840200  1.0