# generated using pymatgen
data_BaPr(NbS2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86263581
_cell_length_b   5.86263579
_cell_length_c   15.18605600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000579
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPr(NbS2)6
_chemical_formula_sum   'Ba1 Pr1 Nb6 S12'
_cell_volume   452.02393792
_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  0.33333300  0.66666700  0.25000000  1.0
  Pr  Pr1  1  0.66666700  0.33333300  0.75000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.98778014  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.98682971  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.98612132  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.51221986  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.51317029  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.51387868  1.0
  S  S8  1  0.67077802  0.66634940  0.41049245  1.0
  S  S9  1  0.66588259  0.67162117  0.61623402  1.0
  S  S10  1  0.00574058  0.67162117  0.88376598  1.0
  S  S11  1  0.66588259  0.99425942  0.88376598  1.0
  S  S12  1  0.67077802  0.00442962  0.08950755  1.0
  S  S13  1  0.33365060  0.00442962  0.41049245  1.0
  S  S14  1  0.00574058  0.33411741  0.61623402  1.0
  S  S15  1  0.32837883  0.99425942  0.61623402  1.0
  S  S16  1  0.99557038  0.66634940  0.08950755  1.0
  S  S17  1  0.32837883  0.33411741  0.88376598  1.0
  S  S18  1  0.99557038  0.32922198  0.41049245  1.0
  S  S19  1  0.33365060  0.32922198  0.08950755  1.0