# generated using pymatgen
data_Pr6BSCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99660976
_cell_length_b   9.99660854
_cell_length_c   9.88104335
_cell_angle_alpha   109.48248705
_cell_angle_beta   109.48248664
_cell_angle_gamma   109.91793643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6BSCl6
_chemical_formula_sum   'Pr12 B2 S2 Cl12'
_cell_volume   755.68234797
_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
  Pr  Pr0  1  0.47689283  0.49453499  0.23295830  1.0
  Pr  Pr1  1  0.76157769  0.24393353  0.26704170  1.0
  Pr  Pr2  1  0.76240666  0.01652383  0.49539145  1.0
  Pr  Pr3  1  0.23298479  0.47886962  0.49539145  1.0
  Pr  Pr4  1  0.25606647  0.73842231  0.23295830  1.0
  Pr  Pr5  1  0.02113038  0.26701521  0.00460855  1.0
  Pr  Pr6  1  0.00546501  0.02310717  0.26704170  1.0
  Pr  Pr7  1  0.48347617  0.73759334  0.00460855  1.0
  Pr  Pr8  1  0.49060449  0.24060449  0.48120997  1.0
  Pr  Pr9  1  0.01346917  0.48653083  0.75000000  1.0
  Pr  Pr10  1  0.25939551  0.00939551  0.01879003  1.0
  Pr  Pr11  1  0.23653083  0.26346917  0.75000000  1.0
  B  B12  1  0.99867396  0.24867396  0.49734792  1.0
  B  B13  1  0.25132604  0.50132604  0.00265208  1.0
  S  S14  1  0.24843628  0.25156372  0.25000000  1.0
  S  S15  1  0.50156372  0.99843628  0.25000000  1.0
  Cl  Cl16  1  0.24992357  0.75675027  0.74593698  1.0
  Cl  Cl17  1  0.51081229  0.50398659  0.75406302  1.0
  Cl  Cl18  1  0.99180213  0.74542403  0.99529180  1.0
  Cl  Cl19  1  0.74324973  0.25007643  0.75406302  1.0
  Cl  Cl20  1  0.99601341  0.98918771  0.74593698  1.0
  Cl  Cl21  1  0.25013223  0.99650833  0.50470820  1.0
  Cl  Cl22  1  0.75457597  0.50819787  0.50470820  1.0
  Cl  Cl23  1  0.50349167  0.24986777  0.99529180  1.0
  Cl  Cl24  1  0.75586096  0.74413904  0.25000000  1.0
  Cl  Cl25  1  0.74505919  0.99505919  0.99011938  1.0
  Cl  Cl26  1  0.99413904  0.50586096  0.25000000  1.0
  Cl  Cl27  1  0.50494081  0.75494081  0.50988062  1.0