# generated using pymatgen
data_Pr12Si(GeBr4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47817861
_cell_length_b   10.47817809
_cell_length_c   10.47817768
_cell_angle_alpha   109.43336159
_cell_angle_beta   109.43336134
_cell_angle_gamma   109.43335618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Si(GeBr4)3
_chemical_formula_sum   'Pr12 Si1 Ge3 Br12'
_cell_volume   886.83480422
_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  0.47947874  0.48707428  0.24107765  1.0
  Pr  Pr1  1  0.75000000  0.24083571  0.25916429  1.0
  Pr  Pr2  1  0.75000000  0.00948151  0.49051849  1.0
  Pr  Pr3  1  0.24107765  0.47947874  0.48707428  1.0
  Pr  Pr4  1  0.25916429  0.75000000  0.24083571  1.0
  Pr  Pr5  1  0.02052126  0.25892235  0.01292572  1.0
  Pr  Pr6  1  0.01292572  0.02052126  0.25892235  1.0
  Pr  Pr7  1  0.49051849  0.75000000  0.00948151  1.0
  Pr  Pr8  1  0.48707428  0.24107765  0.47947874  1.0
  Pr  Pr9  1  0.00948151  0.49051849  0.75000000  1.0
  Pr  Pr10  1  0.25892235  0.01292572  0.02052126  1.0
  Pr  Pr11  1  0.24083571  0.25916429  0.75000000  1.0
  Si  Si12  1  0.25000000  0.25000000  0.25000000  1.0
  Ge  Ge13  1  0.50023566  0.99976434  0.25000000  1.0
  Ge  Ge14  1  0.99976434  0.25000000  0.50023566  1.0
  Ge  Ge15  1  0.25000000  0.50023566  0.99976434  1.0
  Br  Br16  1  0.25000000  0.75450105  0.74549895  1.0
  Br  Br17  1  0.50998951  0.50520004  0.75553510  1.0
  Br  Br18  1  0.99001049  0.74446490  0.99479996  1.0
  Br  Br19  1  0.74549895  0.25000000  0.75450105  1.0
  Br  Br20  1  0.99479996  0.99001049  0.74446490  1.0
  Br  Br21  1  0.25000000  0.99433122  0.50566878  1.0
  Br  Br22  1  0.75553510  0.50998951  0.50520004  1.0
  Br  Br23  1  0.50566878  0.25000000  0.99433122  1.0
  Br  Br24  1  0.75450105  0.74549895  0.25000000  1.0
  Br  Br25  1  0.74446490  0.99479996  0.99001049  1.0
  Br  Br26  1  0.99433122  0.50566878  0.25000000  1.0
  Br  Br27  1  0.50520004  0.75553510  0.50998951  1.0