# generated using pymatgen
data_Pr6SiPBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.40899940
_cell_length_b   10.40900060
_cell_length_c   10.40277052
_cell_angle_alpha   109.47114170
_cell_angle_beta   109.47114624
_cell_angle_gamma   109.49562846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6SiPBr6
_chemical_formula_sum   'Pr12 Si2 P2 Br12'
_cell_volume   867.39129241
_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  0.47563234  0.48962473  0.23694868  1.0
  Pr  Pr1  1  0.75267705  0.23868366  0.26305132  1.0
  Pr  Pr2  1  0.75247971  0.01348299  0.48928480  1.0
  Pr  Pr3  1  0.23680509  0.47580181  0.48928480  1.0
  Pr  Pr4  1  0.26131634  0.74732295  0.23694868  1.0
  Pr  Pr5  1  0.02419819  0.26319491  0.01071520  1.0
  Pr  Pr6  1  0.01037527  0.02436766  0.26305132  1.0
  Pr  Pr7  1  0.48651701  0.74752029  0.01071520  1.0
  Pr  Pr8  1  0.48989198  0.23989198  0.47978296  1.0
  Pr  Pr9  1  0.01392990  0.48607010  0.75000000  1.0
  Pr  Pr10  1  0.26010802  0.01010802  0.02021704  1.0
  Pr  Pr11  1  0.23607010  0.26392990  0.75000000  1.0
  Si  Si12  1  0.24993443  0.25006557  0.25000000  1.0
  Si  Si13  1  0.50006557  0.99993443  0.25000000  1.0
  P  P14  1  0.00018184  0.25018184  0.50036368  1.0
  P  P15  1  0.24981816  0.49981816  0.99963632  1.0
  Br  Br16  1  0.24944864  0.75442843  0.74358596  1.0
  Br  Br17  1  0.51084147  0.50586268  0.75641404  1.0
  Br  Br18  1  0.98833828  0.74289152  0.99382877  1.0
  Br  Br19  1  0.74557157  0.25055136  0.75641404  1.0
  Br  Br20  1  0.99413732  0.98915853  0.74358596  1.0
  Br  Br21  1  0.24906274  0.99450851  0.50617123  1.0
  Br  Br22  1  0.75710848  0.51166172  0.50617123  1.0
  Br  Br23  1  0.50549149  0.25093726  0.99382877  1.0
  Br  Br24  1  0.75599824  0.74400176  0.25000000  1.0
  Br  Br25  1  0.74432512  0.99432512  0.98865024  1.0
  Br  Br26  1  0.99400176  0.50599824  0.25000000  1.0
  Br  Br27  1  0.50567488  0.75567488  0.51134976  1.0