# generated using pymatgen
data_SrPr6FeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49172682
_cell_length_b   9.49172663
_cell_length_c   9.49172566
_cell_angle_alpha   106.15568612
_cell_angle_beta   106.15568300
_cell_angle_gamma   106.15568022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPr6FeBr12
_chemical_formula_sum   'Sr1 Pr6 Fe1 Br12'
_cell_volume   727.94632238
_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
  Sr  Sr0  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr1  1  0.80842145  0.51849562  0.60270712  1.0
  Pr  Pr2  1  0.51849562  0.60270712  0.80842145  1.0
  Pr  Pr3  1  0.19157855  0.48150438  0.39729288  1.0
  Pr  Pr4  1  0.48150438  0.39729288  0.19157855  1.0
  Pr  Pr5  1  0.60270712  0.80842145  0.51849562  1.0
  Pr  Pr6  1  0.39729288  0.19157855  0.48150438  1.0
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br8  1  0.72097592  0.17756703  0.57248129  1.0
  Br  Br9  1  0.95288242  0.86757054  0.65011044  1.0
  Br  Br10  1  0.57248129  0.72097592  0.17756703  1.0
  Br  Br11  1  0.13242946  0.34988956  0.04711758  1.0
  Br  Br12  1  0.65011044  0.95288242  0.86757054  1.0
  Br  Br13  1  0.86757054  0.65011044  0.95288242  1.0
  Br  Br14  1  0.04711758  0.13242946  0.34988956  1.0
  Br  Br15  1  0.82243297  0.42751871  0.27902408  1.0
  Br  Br16  1  0.34988956  0.04711758  0.13242946  1.0
  Br  Br17  1  0.27902408  0.82243297  0.42751871  1.0
  Br  Br18  1  0.17756703  0.57248129  0.72097592  1.0
  Br  Br19  1  0.42751871  0.27902408  0.82243297  1.0