# generated using pymatgen
data_Pr12Si3BBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47826245
_cell_length_b   10.38524359
_cell_length_c   10.38524408
_cell_angle_alpha   109.28907339
_cell_angle_beta   109.65275942
_cell_angle_gamma   109.65276307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Si3BBr12
_chemical_formula_sum   'Pr12 Si3 B1 Br12'
_cell_volume   868.00622690
_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  0.46986712  0.49376582  0.22871523  1.0
  Pr  Pr1  1  0.75000000  0.24036229  0.25963771  1.0
  Pr  Pr2  1  0.75000000  0.00894466  0.49105534  1.0
  Pr  Pr3  1  0.24105534  0.48211069  0.49105534  1.0
  Pr  Pr4  1  0.25884912  0.73495042  0.22871523  1.0
  Pr  Pr5  1  0.03013288  0.27128477  0.00623418  1.0
  Pr  Pr6  1  0.00963771  0.01927443  0.25963771  1.0
  Pr  Pr7  1  0.47610130  0.73495042  0.00623418  1.0
  Pr  Pr8  1  0.49036229  0.24036229  0.48072557  1.0
  Pr  Pr9  1  0.02389870  0.49376582  0.76504958  1.0
  Pr  Pr10  1  0.25894466  0.00894466  0.01788931  1.0
  Pr  Pr11  1  0.24115088  0.27128477  0.76504958  1.0
  Si  Si12  1  0.25000000  0.25019108  0.24980892  1.0
  Si  Si13  1  0.49980892  0.99961785  0.24980892  1.0
  Si  Si14  1  0.00019108  0.25019108  0.50038215  1.0
  B  B15  1  0.25000000  0.50000000  0.00000000  1.0
  Br  Br16  1  0.25000000  0.75643732  0.74356268  1.0
  Br  Br17  1  0.51185185  0.50573307  0.75771794  1.0
  Br  Br18  1  0.98814815  0.74228206  0.99426693  1.0
  Br  Br19  1  0.74586708  0.25198486  0.75771794  1.0
  Br  Br20  1  0.99356268  0.98712535  0.74356268  1.0
  Br  Br21  1  0.25000000  0.99521896  0.50478104  1.0
  Br  Br22  1  0.75478104  0.50956209  0.50478104  1.0
  Br  Br23  1  0.50611878  0.25198486  0.99426693  1.0
  Br  Br24  1  0.75413292  0.74228206  0.24801514  1.0
  Br  Br25  1  0.74521896  0.99521896  0.99043791  1.0
  Br  Br26  1  0.99388122  0.50573307  0.24801514  1.0
  Br  Br27  1  0.50643732  0.75643732  0.51287465  1.0