# generated using pymatgen
data_Pr8SiPBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22382442
_cell_length_b   13.71020148
_cell_length_c   14.50425402
_cell_angle_alpha   89.98281490
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr8SiPBr12
_chemical_formula_sum   'Pr8 Si1 P1 Br12'
_cell_volume   839.93382554
_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  0.50000000  0.11702294  0.34221453  1.0
  Pr  Pr1  1  0.50000000  0.88297706  0.65778547  1.0
  Pr  Pr2  1  0.50000000  0.62003322  0.16140432  1.0
  Pr  Pr3  1  0.50000000  0.37996678  0.83859568  1.0
  Pr  Pr4  1  0.00000000  0.11578660  0.57653049  1.0
  Pr  Pr5  1  0.00000000  0.88421340  0.42346951  1.0
  Pr  Pr6  1  0.00000000  0.62103681  0.91957681  1.0
  Pr  Pr7  1  0.00000000  0.37896319  0.08042319  1.0
  Si  Si8  1  0.50000000  0.50000000  0.00000000  1.0
  P  P9  1  0.50000000  0.00000000  0.50000000  1.0
  Br  Br10  1  0.50000000  0.24294339  0.16491275  1.0
  Br  Br11  1  0.50000000  0.75705661  0.83508725  1.0
  Br  Br12  1  0.50000000  0.74642554  0.33727133  1.0
  Br  Br13  1  0.50000000  0.25357446  0.66272867  1.0
  Br  Br14  1  0.00000000  0.25473620  0.41153750  1.0
  Br  Br15  1  0.00000000  0.74526380  0.58846250  1.0
  Br  Br16  1  0.00000000  0.75601286  0.08881417  1.0
  Br  Br17  1  0.00000000  0.24398714  0.91118583  1.0
  Br  Br18  1  0.00000000  0.00044042  0.24395180  1.0
  Br  Br19  1  0.00000000  0.99955958  0.75604820  1.0
  Br  Br20  1  0.00000000  0.50151853  0.25780714  1.0
  Br  Br21  1  0.00000000  0.49848147  0.74219286  1.0