# generated using pymatgen
data_CaPr3(B8Ru7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43802521
_cell_length_b   6.44147575
_cell_length_c   10.05302242
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95807900
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr3(B8Ru7)2
_chemical_formula_sum   'Ca1 Pr3 B16 Ru14'
_cell_volume   416.90258101
_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  0.73519451  0.87630429  0.00000000  1.0
  Pr  Pr1  1  0.12182150  0.73631008  0.50000000  1.0
  Pr  Pr2  1  0.87877327  0.26736544  0.50000000  1.0
  Pr  Pr3  1  0.27058251  0.11832171  0.00000000  1.0
  B  B4  1  0.49933586  0.99957309  0.58934366  1.0
  B  B5  1  0.49933586  0.99957309  0.41065634  1.0
  B  B6  1  0.89592691  0.27574331  0.16984092  1.0
  B  B7  1  0.10335964  0.72578854  0.83095930  1.0
  B  B8  1  0.50050625  0.49933974  0.34157104  1.0
  B  B9  1  0.50073326  0.49949365  0.84186178  1.0
  B  B10  1  0.27249929  0.10284615  0.67020180  1.0
  B  B11  1  0.10335964  0.72578854  0.16904070  1.0
  B  B12  1  0.27249929  0.10284615  0.32979820  1.0
  B  B13  1  0.89592691  0.27574331  0.83015908  1.0
  B  B14  1  0.50050625  0.49933974  0.65842896  1.0
  B  B15  1  0.50073326  0.49949365  0.15813822  1.0
  B  B16  1  0.00020047  0.50093981  0.91123907  1.0
  B  B17  1  0.72517534  0.89627706  0.67044884  1.0
  B  B18  1  0.72517534  0.89627706  0.32955116  1.0
  B  B19  1  0.00020047  0.50093981  0.08876093  1.0
  Ru  Ru20  1  0.20486161  0.39917348  0.75339224  1.0
  Ru  Ru21  1  0.39860874  0.28474093  0.50000000  1.0
  Ru  Ru22  1  0.39904177  0.79463217  0.25369257  1.0
  Ru  Ru23  1  0.20486161  0.39917348  0.24660776  1.0
  Ru  Ru24  1  0.60068695  0.71386755  0.50000000  1.0
  Ru  Ru25  1  0.60088084  0.20468672  0.74651183  1.0
  Ru  Ru26  1  0.28643390  0.59911651  0.00000000  1.0
  Ru  Ru27  1  0.71446540  0.40302111  0.00000000  1.0
  Ru  Ru28  1  0.79563865  0.60173421  0.24612333  1.0
  Ru  Ru29  1  0.79563865  0.60173421  0.75387667  1.0
  Ru  Ru30  1  0.39904177  0.79463217  0.74630743  1.0
  Ru  Ru31  1  0.99855823  0.00024876  0.24861360  1.0
  Ru  Ru32  1  0.60088084  0.20468672  0.25348817  1.0
  Ru  Ru33  1  0.99855823  0.00024876  0.75138640  1.0