# generated using pymatgen
data_Pr6BSBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25963472
_cell_length_b   10.25963208
_cell_length_c   10.14258734
_cell_angle_alpha   109.47172043
_cell_angle_beta   109.47168903
_cell_angle_gamma   109.93314858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6BSBr6
_chemical_formula_sum   'Pr12 B2 S2 Br12'
_cell_volume   817.10423205
_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  0.46834418  0.49005355  0.22820183  1.0
  Pr  Pr1  1  0.76185171  0.24014334  0.27179817  1.0
  Pr  Pr2  1  0.76345449  0.02096933  0.49205192  1.0
  Pr  Pr3  1  0.22859943  0.47108460  0.49205292  1.0
  Pr  Pr4  1  0.25985766  0.73814829  0.22820283  1.0
  Pr  Pr5  1  0.02891640  0.27140257  0.00794708  1.0
  Pr  Pr6  1  0.00994545  0.03165582  0.27179817  1.0
  Pr  Pr7  1  0.47902967  0.73654451  0.00794708  1.0
  Pr  Pr8  1  0.48559456  0.23559456  0.47119112  1.0
  Pr  Pr9  1  0.01730984  0.48269216  0.75000100  1.0
  Pr  Pr10  1  0.26440444  0.01440544  0.02880888  1.0
  Pr  Pr11  1  0.23269016  0.26730884  0.75000000  1.0
  B  B12  1  0.99881206  0.24881206  0.49762212  1.0
  B  B13  1  0.25118794  0.50118794  0.00237688  1.0
  S  S14  1  0.24765992  0.25234008  0.25000100  1.0
  S  S15  1  0.50234008  0.99765892  0.25000000  1.0
  Br  Br16  1  0.25010455  0.76077090  0.74313687  1.0
  Br  Br17  1  0.51763403  0.50696768  0.75686313  1.0
  Br  Br18  1  0.98494555  0.74276782  0.99245487  1.0
  Br  Br19  1  0.73922910  0.24989545  0.75686313  1.0
  Br  Br20  1  0.99303232  0.98236697  0.74313687  1.0
  Br  Br21  1  0.25031294  0.99248968  0.50754513  1.0
  Br  Br22  1  0.75723218  0.51505545  0.50754513  1.0
  Br  Br23  1  0.50751132  0.24968706  0.99245487  1.0
  Br  Br24  1  0.75897449  0.74102451  0.25000000  1.0
  Br  Br25  1  0.74213231  0.99213231  0.98426562  1.0
  Br  Br26  1  0.99102551  0.50897449  0.24999900  1.0
  Br  Br27  1  0.50786669  0.75786669  0.51573438  1.0