# generated using pymatgen
data_Pr12B(PBr4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36681391
_cell_length_b   10.27866590
_cell_length_c   10.27866632
_cell_angle_alpha   109.29684783
_cell_angle_beta   109.64503223
_cell_angle_gamma   109.64503775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12B(PBr4)3
_chemical_formula_sum   'Pr12 B1 P3 Br12'
_cell_volume   841.31925191
_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  0.46870176  0.49109218  0.22913716  1.0
  Pr  Pr1  1  0.75000000  0.23727784  0.26272216  1.0
  Pr  Pr2  1  0.75000000  0.01217961  0.48782039  1.0
  Pr  Pr3  1  0.23782039  0.47564177  0.48782039  1.0
  Pr  Pr4  1  0.26043540  0.73804498  0.22913716  1.0
  Pr  Pr5  1  0.03129824  0.27086284  0.00890782  1.0
  Pr  Pr6  1  0.01272216  0.02544331  0.26272216  1.0
  Pr  Pr7  1  0.47760957  0.73804498  0.00890782  1.0
  Pr  Pr8  1  0.48727784  0.23727784  0.47455669  1.0
  Pr  Pr9  1  0.02239043  0.49109218  0.76195502  1.0
  Pr  Pr10  1  0.26217961  0.01217961  0.02435823  1.0
  Pr  Pr11  1  0.23956460  0.27086284  0.76195502  1.0
  B  B12  1  0.25000000  0.50000000  0.00000000  1.0
  P  P13  1  0.25000000  0.25057558  0.24942442  1.0
  P  P14  1  0.49942442  0.99884885  0.24942442  1.0
  P  P15  1  0.00057558  0.25057558  0.50115115  1.0
  Br  Br16  1  0.25000000  0.75798110  0.74201890  1.0
  Br  Br17  1  0.51383004  0.50617271  0.75745911  1.0
  Br  Br18  1  0.98616996  0.74254089  0.99382729  1.0
  Br  Br19  1  0.74363007  0.25128640  0.75745911  1.0
  Br  Br20  1  0.99201890  0.98403681  0.74201890  1.0
  Br  Br21  1  0.25000000  0.99383538  0.50616462  1.0
  Br  Br22  1  0.75616462  0.51233024  0.50616462  1.0
  Br  Br23  1  0.50765734  0.25128640  0.99382729  1.0
  Br  Br24  1  0.75636993  0.74254089  0.24871360  1.0
  Br  Br25  1  0.74383538  0.99383538  0.98766976  1.0
  Br  Br26  1  0.99234266  0.50617271  0.24871360  1.0
  Br  Br27  1  0.50798110  0.75798110  0.51596319  1.0