# generated using pymatgen
data_Pr7SBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33485242
_cell_length_b   9.33485184
_cell_length_c   9.33485277
_cell_angle_alpha   107.75467703
_cell_angle_beta   107.75468491
_cell_angle_gamma   107.75469121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr7SBr12
_chemical_formula_sum   'Pr7 S1 Br12'
_cell_volume   662.99510350
_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  0.96223097  0.88728664  0.67888887  1.0
  Pr  Pr1  1  0.03776903  0.11271336  0.32111113  1.0
  Pr  Pr2  1  0.11271336  0.32111113  0.03776903  1.0
  Pr  Pr3  1  0.32111113  0.03776903  0.11271336  1.0
  Pr  Pr4  1  0.50000000  0.50000000  0.50000000  1.0
  Pr  Pr5  1  0.88728664  0.67888887  0.96223097  1.0
  Pr  Pr6  1  0.67888887  0.96223097  0.88728664  1.0
  S  S7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.52124338  0.60740312  0.84574112  1.0
  Br  Br9  1  0.47875662  0.39259688  0.15425888  1.0
  Br  Br10  1  0.31323067  0.92275116  0.77199248  1.0
  Br  Br11  1  0.39259688  0.15425888  0.47875662  1.0
  Br  Br12  1  0.92275116  0.77199248  0.31323067  1.0
  Br  Br13  1  0.68676933  0.07724884  0.22800752  1.0
  Br  Br14  1  0.07724884  0.22800752  0.68676933  1.0
  Br  Br15  1  0.77199248  0.31323067  0.92275116  1.0
  Br  Br16  1  0.22800752  0.68676933  0.07724884  1.0
  Br  Br17  1  0.84574112  0.52124338  0.60740312  1.0
  Br  Br18  1  0.15425888  0.47875662  0.39259688  1.0
  Br  Br19  1  0.60740312  0.84574112  0.52124338  1.0