# generated using pymatgen
data_Pr3RuCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08539158
_cell_length_b   12.50369992
_cell_length_c   14.29827916
_cell_angle_alpha   89.99965856
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3RuCl3
_chemical_formula_sum   'Pr12 Ru4 Cl12'
_cell_volume   730.39199350
_cell_formula_units_Z   4
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  0.25000000  0.83593567  0.08923740  1.0
  Pr  Pr1  1  0.25000000  0.41720293  0.85917991  1.0
  Pr  Pr2  1  0.25000000  0.08287219  0.35930552  1.0
  Pr  Pr3  1  0.75000000  0.91713610  0.64078881  1.0
  Pr  Pr4  1  0.75000000  0.16409487  0.91073242  1.0
  Pr  Pr5  1  0.75000000  0.82398213  0.39952138  1.0
  Pr  Pr6  1  0.75000000  0.58282408  0.14072099  1.0
  Pr  Pr7  1  0.25000000  0.66399552  0.58928433  1.0
  Pr  Pr8  1  0.25000000  0.17602317  0.60054431  1.0
  Pr  Pr9  1  0.75000000  0.33596488  0.41073028  1.0
  Pr  Pr10  1  0.75000000  0.67599838  0.89943334  1.0
  Pr  Pr11  1  0.25000000  0.32402750  0.10055130  1.0
  Ru  Ru12  1  0.25000000  0.90020585  0.51227696  1.0
  Ru  Ru13  1  0.75000000  0.40023490  0.98773180  1.0
  Ru  Ru14  1  0.25000000  0.59977797  0.01227432  1.0
  Ru  Ru15  1  0.75000000  0.09975791  0.48773579  1.0
  Cl  Cl16  1  0.75000000  0.90132567  0.95510174  1.0
  Cl  Cl17  1  0.25000000  0.09870932  0.04487174  1.0
  Cl  Cl18  1  0.25000000  0.40133584  0.54488572  1.0
  Cl  Cl19  1  0.75000000  0.93808554  0.21402342  1.0
  Cl  Cl20  1  0.75000000  0.59863361  0.45513904  1.0
  Cl  Cl21  1  0.75000000  0.21578607  0.23601968  1.0
  Cl  Cl22  1  0.25000000  0.06187983  0.78596703  1.0
  Cl  Cl23  1  0.25000000  0.71576363  0.26400005  1.0
  Cl  Cl24  1  0.75000000  0.28424995  0.73594349  1.0
  Cl  Cl25  1  0.75000000  0.56176397  0.71402323  1.0
  Cl  Cl26  1  0.25000000  0.43822842  0.28596300  1.0
  Cl  Cl27  1  0.25000000  0.78420309  0.76401201  1.0