# generated using pymatgen
data_Pr6IrRhBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49226542
_cell_length_b   10.49226570
_cell_length_c   10.47049143
_cell_angle_alpha   109.46599740
_cell_angle_beta   109.46599705
_cell_angle_gamma   109.56575611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6IrRhBr6
_chemical_formula_sum   'Pr12 Ir2 Rh2 Br12'
_cell_volume   886.40434768
_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  0.46957969  0.48432142  0.23505751  1.0
  Pr  Pr1  1  0.74926491  0.23452319  0.26494249  1.0
  Pr  Pr2  1  0.74939784  0.01452075  0.48488719  1.0
  Pr  Pr3  1  0.23548935  0.47036545  0.48488719  1.0
  Pr  Pr4  1  0.26547681  0.75073509  0.23505751  1.0
  Pr  Pr5  1  0.02963455  0.26451065  0.01511281  1.0
  Pr  Pr6  1  0.01567858  0.03042031  0.26494249  1.0
  Pr  Pr7  1  0.48547925  0.75060216  0.01511281  1.0
  Pr  Pr8  1  0.48501618  0.23501618  0.47003236  1.0
  Pr  Pr9  1  0.01506636  0.48493364  0.75000000  1.0
  Pr  Pr10  1  0.26498382  0.01498382  0.02996764  1.0
  Pr  Pr11  1  0.23493364  0.26506636  0.75000000  1.0
  Ir  Ir12  1  0.24925967  0.25074033  0.25000000  1.0
  Ir  Ir13  1  0.50074033  0.99925967  0.25000000  1.0
  Rh  Rh14  1  0.00093017  0.25093017  0.50185934  1.0
  Rh  Rh15  1  0.24906983  0.49906983  0.99814066  1.0
  Br  Br16  1  0.24912815  0.75572996  0.74332339  1.0
  Br  Br17  1  0.51240558  0.50580476  0.75667661  1.0
  Br  Br18  1  0.98666413  0.74287914  0.99363274  1.0
  Br  Br19  1  0.74427004  0.25087185  0.75667661  1.0
  Br  Br20  1  0.99419524  0.98759442  0.74332339  1.0
  Br  Br21  1  0.24924640  0.99303039  0.50636726  1.0
  Br  Br22  1  0.75712086  0.51333587  0.50636726  1.0
  Br  Br23  1  0.50696961  0.25075360  0.99363274  1.0
  Br  Br24  1  0.75624852  0.74375148  0.25000000  1.0
  Br  Br25  1  0.74338022  0.99338022  0.98676143  1.0
  Br  Br26  1  0.99375148  0.50624852  0.25000000  1.0
  Br  Br27  1  0.50661978  0.75661978  0.51323857  1.0