# generated using pymatgen
data_Pr12Si3GeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44576815
_cell_length_b   10.47783449
_cell_length_c   10.47783513
_cell_angle_alpha   109.53313892
_cell_angle_beta   109.40924555
_cell_angle_gamma   109.40922754
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Si3GeBr12
_chemical_formula_sum   'Pr12 Si3 Ge1 Br12'
_cell_volume   883.47284746
_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  0.48049041  0.48807836  0.24154675  1.0
  Pr  Pr1  1  0.75000000  0.23996552  0.26003448  1.0
  Pr  Pr2  1  0.75000000  0.01051291  0.48948709  1.0
  Pr  Pr3  1  0.23948709  0.47897219  0.48948709  1.0
  Pr  Pr4  1  0.26105534  0.75346739  0.24154675  1.0
  Pr  Pr5  1  0.01950959  0.25845325  0.01192164  1.0
  Pr  Pr6  1  0.01003448  0.02007095  0.26003448  1.0
  Pr  Pr7  1  0.49241305  0.75346739  0.01192164  1.0
  Pr  Pr8  1  0.48996552  0.23996552  0.47992905  1.0
  Pr  Pr9  1  0.00758695  0.48807836  0.74653261  1.0
  Pr  Pr10  1  0.26051291  0.01051291  0.02102781  1.0
  Pr  Pr11  1  0.23894466  0.25845325  0.74653261  1.0
  Si  Si12  1  0.25000000  0.24991664  0.25008336  1.0
  Si  Si13  1  0.50008336  0.00016673  0.25008336  1.0
  Si  Si14  1  0.99991664  0.24991664  0.49983327  1.0
  Ge  Ge15  1  0.25000000  0.50000000  0.00000000  1.0
  Br  Br16  1  0.25000000  0.75488514  0.74511486  1.0
  Br  Br17  1  0.51056860  0.50568084  0.75572348  1.0
  Br  Br18  1  0.98943140  0.74427652  0.99431916  1.0
  Br  Br19  1  0.74515388  0.25004264  0.75572348  1.0
  Br  Br20  1  0.99511486  0.99023071  0.74511486  1.0
  Br  Br21  1  0.25000000  0.99406618  0.50593382  1.0
  Br  Br22  1  0.75593382  0.51186564  0.50593382  1.0
  Br  Br23  1  0.50488776  0.25004264  0.99431916  1.0
  Br  Br24  1  0.75484612  0.74427652  0.24995736  1.0
  Br  Br25  1  0.74406618  0.99406618  0.98813436  1.0
  Br  Br26  1  0.99511224  0.50568084  0.24995736  1.0
  Br  Br27  1  0.50488514  0.75488514  0.50976929  1.0