# generated using pymatgen
data_Ca3Pr(B8Ru7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41907990
_cell_length_b   6.41482893
_cell_length_c   10.04713117
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.03639757
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Pr(B8Ru7)2
_chemical_formula_sum   'Ca3 Pr1 B16 Ru14'
_cell_volume   413.71364564
_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
  Ca  Ca0  1  0.11551591  0.73104767  0.50000000  1.0
  Ca  Ca1  1  0.88429573  0.26645428  0.50000000  1.0
  Ca  Ca2  1  0.26231927  0.11943571  0.00000000  1.0
  Pr  Pr3  1  0.73109005  0.88413189  0.00000000  1.0
  B  B4  1  0.50063588  0.00052903  0.58839446  1.0
  B  B5  1  0.50063588  0.00052903  0.41160554  1.0
  B  B6  1  0.89802463  0.27211911  0.16832145  1.0
  B  B7  1  0.10272977  0.72659819  0.83075456  1.0
  B  B8  1  0.49926982  0.50050050  0.34141987  1.0
  B  B9  1  0.49942738  0.50046672  0.84126448  1.0
  B  B10  1  0.27507769  0.10338020  0.66812482  1.0
  B  B11  1  0.10272977  0.72659819  0.16924544  1.0
  B  B12  1  0.27507769  0.10338020  0.33187518  1.0
  B  B13  1  0.89802463  0.27211911  0.83167855  1.0
  B  B14  1  0.49926982  0.50050050  0.65858013  1.0
  B  B15  1  0.49942738  0.50046672  0.15873552  1.0
  B  B16  1  0.99988372  0.49920659  0.91106653  1.0
  B  B17  1  0.72717847  0.89755368  0.66746943  1.0
  B  B18  1  0.72717847  0.89755368  0.33253057  1.0
  B  B19  1  0.99988372  0.49920659  0.08893347  1.0
  Ru  Ru20  1  0.20505837  0.39520395  0.75574149  1.0
  Ru  Ru21  1  0.40469412  0.28791614  0.50000000  1.0
  Ru  Ru22  1  0.39542846  0.79566899  0.25487574  1.0
  Ru  Ru23  1  0.20505837  0.39520395  0.24425851  1.0
  Ru  Ru24  1  0.59517198  0.71336724  0.50000000  1.0
  Ru  Ru25  1  0.60517213  0.20477673  0.74491636  1.0
  Ru  Ru26  1  0.28657598  0.59699976  0.00000000  1.0
  Ru  Ru27  1  0.71267602  0.40101151  0.00000000  1.0
  Ru  Ru28  1  0.79476658  0.60388694  0.24512409  1.0
  Ru  Ru29  1  0.79476658  0.60388694  0.75487591  1.0
  Ru  Ru30  1  0.39542846  0.79566899  0.74512426  1.0
  Ru  Ru31  1  0.00117705  0.99992677  0.25134412  1.0
  Ru  Ru32  1  0.60517213  0.20477673  0.25508364  1.0
  Ru  Ru33  1  0.00117705  0.99992677  0.74865588  1.0