# generated using pymatgen
data_Pr12Fe2Br17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48710848
_cell_length_b   11.43015181
_cell_length_c   11.57711425
_cell_angle_alpha   93.60771300
_cell_angle_beta   104.73019890
_cell_angle_gamma   114.24482219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Fe2Br17
_chemical_formula_sum   'Pr12 Fe2 Br17'
_cell_volume   1086.94727884
_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
  Pr  Pr0  1  0.06384479  0.52108794  0.32294835  1.0
  Pr  Pr1  1  0.97522632  0.80888149  0.57426889  1.0
  Pr  Pr2  1  0.64277273  0.23793538  0.28714967  1.0
  Pr  Pr3  1  0.02477368  0.19111851  0.42573111  1.0
  Pr  Pr4  1  0.23207834  0.67211826  0.99686784  1.0
  Pr  Pr5  1  0.25992078  0.99700092  0.89237715  1.0
  Pr  Pr6  1  0.35722727  0.76206462  0.71285033  1.0
  Pr  Pr7  1  0.93615521  0.47891206  0.67705165  1.0
  Pr  Pr8  1  0.74007922  0.00299908  0.10762285  1.0
  Pr  Pr9  1  0.15680507  0.28811441  0.14788453  1.0
  Pr  Pr10  1  0.76792166  0.32788174  0.00313216  1.0
  Pr  Pr11  1  0.84319493  0.71188559  0.85211547  1.0
  Fe  Fe12  1  0.10225959  0.73849465  0.78607232  1.0
  Fe  Fe13  1  0.89774041  0.26150535  0.21392768  1.0
  Br  Br14  1  0.78904177  0.52416700  0.42189717  1.0
  Br  Br15  1  0.64129874  0.42157925  0.75733441  1.0
  Br  Br16  1  0.84914407  0.90048904  0.32701636  1.0
  Br  Br17  1  0.32612126  0.21249677  0.36412268  1.0
  Br  Br18  1  0.15085593  0.09951096  0.67298364  1.0
  Br  Br19  1  0.58639375  0.04890492  0.85049088  1.0
  Br  Br20  1  0.76259434  0.18167521  0.53436582  1.0
  Br  Br21  1  0.54365172  0.70459468  0.94773457  1.0
  Br  Br22  1  0.35870126  0.57842075  0.24266559  1.0
  Br  Br23  1  0.21095823  0.47583300  0.57810283  1.0
  Br  Br24  1  0.05514676  0.37184356  0.90102216  1.0
  Br  Br25  1  0.45634828  0.29540532  0.05226543  1.0
  Br  Br26  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br27  1  0.23740566  0.81832479  0.46563418  1.0
  Br  Br28  1  0.41360625  0.95109508  0.14950912  1.0
  Br  Br29  1  0.67387874  0.78750323  0.63587732  1.0
  Br  Br30  1  0.94485324  0.62815644  0.09897784  1.0