# generated using pymatgen
data_BaYb(NbS2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86174497
_cell_length_b   5.86174498
_cell_length_c   14.99408545
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999995
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYb(NbS2)6
_chemical_formula_sum   'Ba1 Yb1 Nb6 S12'
_cell_volume   446.17419961
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.50000000  1.0
  Yb  Yb1  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.76487006  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.23512994  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.23362120  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.76637880  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.23362120  1.0
  Nb  Nb7  1  0.33333300  0.66666700  0.76637880  1.0
  S  S8  1  0.33410485  0.00000000  0.13029588  1.0
  S  S9  1  0.00000000  0.33410485  0.13029588  1.0
  S  S10  1  0.66589515  0.66589515  0.13029588  1.0
  S  S11  1  0.33765630  0.33765630  0.66213144  1.0
  S  S12  1  0.66234370  0.66234370  0.33786856  1.0
  S  S13  1  0.66234370  0.00000000  0.66213144  1.0
  S  S14  1  0.00000000  0.66234370  0.66213144  1.0
  S  S15  1  0.00000000  0.66589515  0.86970412  1.0
  S  S16  1  0.33410485  0.33410485  0.86970412  1.0
  S  S17  1  0.00000000  0.33765630  0.33786856  1.0
  S  S18  1  0.33765630  0.00000000  0.33786856  1.0
  S  S19  1  0.66589515  0.00000000  0.86970412  1.0