# generated using pymatgen
data_Pr12Si2Br17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49496934
_cell_length_b   11.34110748
_cell_length_c   11.23962056
_cell_angle_alpha   93.58526313
_cell_angle_beta   104.82468432
_cell_angle_gamma   115.35574294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Si2Br17
_chemical_formula_sum   'Pr12 Si2 Br17'
_cell_volume   1036.59852766
_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  0.07014995  0.53177717  0.33208278  1.0
  Pr  Pr1  1  0.98430045  0.81438628  0.56738990  1.0
  Pr  Pr2  1  0.62347837  0.23710916  0.28631695  1.0
  Pr  Pr3  1  0.01569955  0.18561372  0.43261010  1.0
  Pr  Pr4  1  0.22910690  0.66411174  0.00862476  1.0
  Pr  Pr5  1  0.27807316  0.00453888  0.90755838  1.0
  Pr  Pr6  1  0.37652163  0.76289084  0.71368305  1.0
  Pr  Pr7  1  0.92985005  0.46822283  0.66791722  1.0
  Pr  Pr8  1  0.72192684  0.99546112  0.09244162  1.0
  Pr  Pr9  1  0.16518081  0.29076875  0.14227947  1.0
  Pr  Pr10  1  0.77089310  0.33588826  0.99137524  1.0
  Pr  Pr11  1  0.83481919  0.70923125  0.85772053  1.0
  Si  Si12  1  0.10621413  0.73711025  0.78642253  1.0
  Si  Si13  1  0.89378587  0.26288975  0.21357747  1.0
  Br  Br14  1  0.78068110  0.52707455  0.41641178  1.0
  Br  Br15  1  0.62929939  0.41861930  0.74244483  1.0
  Br  Br16  1  0.84097146  0.89519981  0.31843894  1.0
  Br  Br17  1  0.31868096  0.21165466  0.36892741  1.0
  Br  Br18  1  0.15902854  0.10480019  0.68156106  1.0
  Br  Br19  1  0.58688090  0.05514336  0.83444251  1.0
  Br  Br20  1  0.74193081  0.16630406  0.53387961  1.0
  Br  Br21  1  0.53607989  0.68711227  0.95177979  1.0
  Br  Br22  1  0.37070061  0.58138070  0.25755517  1.0
  Br  Br23  1  0.21931890  0.47292545  0.58358822  1.0
  Br  Br24  1  0.05699399  0.36547304  0.89150823  1.0
  Br  Br25  1  0.46392011  0.31288773  0.04822021  1.0
  Br  Br26  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br27  1  0.25806919  0.83369594  0.46612039  1.0
  Br  Br28  1  0.41311910  0.94485664  0.16555749  1.0
  Br  Br29  1  0.68131904  0.78834534  0.63107259  1.0
  Br  Br30  1  0.94300601  0.63452696  0.10849177  1.0