# generated using pymatgen
data_Pr6BPBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30780914
_cell_length_b   10.30780967
_cell_length_c   10.21058712
_cell_angle_alpha   109.49051286
_cell_angle_beta   109.49051045
_cell_angle_gamma   109.81550459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6BPBr6
_chemical_formula_sum   'Pr12 B2 P2 Br12'
_cell_volume   831.16819887
_cell_formula_units_Z   2
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  0.46921993  0.49130401  0.22808860  1.0
  Pr  Pr1  1  0.76321440  0.24113032  0.27191140  1.0
  Pr  Pr2  1  0.76308593  0.02199257  0.49320768  1.0
  Pr  Pr3  1  0.23012175  0.47121611  0.49320768  1.0
  Pr  Pr4  1  0.25886968  0.73678560  0.22808860  1.0
  Pr  Pr5  1  0.02878389  0.26987825  0.00679232  1.0
  Pr  Pr6  1  0.00869599  0.03078007  0.27191140  1.0
  Pr  Pr7  1  0.47800743  0.73691407  0.00679232  1.0
  Pr  Pr8  1  0.48843044  0.23843044  0.47686087  1.0
  Pr  Pr9  1  0.01834957  0.48165043  0.75000000  1.0
  Pr  Pr10  1  0.26156956  0.01156956  0.02313913  1.0
  Pr  Pr11  1  0.23165043  0.26834957  0.75000000  1.0
  B  B12  1  0.99889248  0.24889248  0.49778496  1.0
  B  B13  1  0.25110752  0.50110752  0.00221504  1.0
  P  P14  1  0.24916768  0.25083232  0.25000000  1.0
  P  P15  1  0.50083232  0.99916768  0.25000000  1.0
  Br  Br16  1  0.24904857  0.75815396  0.74154915  1.0
  Br  Br17  1  0.51660481  0.50749942  0.75845085  1.0
  Br  Br18  1  0.98655517  0.74289594  0.99265263  1.0
  Br  Br19  1  0.74184604  0.25095143  0.75845085  1.0
  Br  Br20  1  0.99250058  0.98339519  0.74154915  1.0
  Br  Br21  1  0.25024331  0.99390255  0.50734737  1.0
  Br  Br22  1  0.75710406  0.51344483  0.50734737  1.0
  Br  Br23  1  0.50609745  0.24975669  0.99265263  1.0
  Br  Br24  1  0.75734234  0.74265766  0.25000000  1.0
  Br  Br25  1  0.74331316  0.99331316  0.98662733  1.0
  Br  Br26  1  0.99265766  0.50734234  0.25000000  1.0
  Br  Br27  1  0.50668684  0.75668684  0.51337267  1.0