# generated using pymatgen
data_CaNd3(B8Ru7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43178977
_cell_length_b   6.43668938
_cell_length_c   10.03280312
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.94982951
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd3(B8Ru7)2
_chemical_formula_sum   'Ca1 Nd3 B16 Ru14'
_cell_volume   415.35220070
_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  0.73474782  0.87687765  0.00000000  1.0
  Nd  Nd1  1  0.12291369  0.73610054  0.50000000  1.0
  Nd  Nd2  1  0.87774919  0.26745190  0.50000000  1.0
  Nd  Nd3  1  0.27037267  0.12007272  0.00000000  1.0
  B  B4  1  0.49935751  0.99955179  0.58925876  1.0
  B  B5  1  0.49935751  0.99955179  0.41074124  1.0
  B  B6  1  0.89613987  0.27534724  0.16971210  1.0
  B  B7  1  0.10333292  0.72601775  0.83106941  1.0
  B  B8  1  0.50048432  0.49931965  0.34163895  1.0
  B  B9  1  0.50075874  0.49942453  0.84173382  1.0
  B  B10  1  0.27205329  0.10267137  0.66958831  1.0
  B  B11  1  0.10333292  0.72601775  0.16893059  1.0
  B  B12  1  0.27205329  0.10267137  0.33041169  1.0
  B  B13  1  0.89613987  0.27534724  0.83028790  1.0
  B  B14  1  0.50048432  0.49931965  0.65836105  1.0
  B  B15  1  0.50075874  0.49942453  0.15826618  1.0
  B  B16  1  0.00012725  0.50087401  0.91116910  1.0
  B  B17  1  0.72567927  0.89632226  0.66987467  1.0
  B  B18  1  0.72567927  0.89632226  0.33012533  1.0
  B  B19  1  0.00012725  0.50087401  0.08883090  1.0
  Ru  Ru20  1  0.20472648  0.39890997  0.75318622  1.0
  Ru  Ru21  1  0.39863075  0.28502689  0.50000000  1.0
  Ru  Ru22  1  0.39870671  0.79470642  0.25385963  1.0
  Ru  Ru23  1  0.20472648  0.39890997  0.24681378  1.0
  Ru  Ru24  1  0.60056095  0.71357435  0.50000000  1.0
  Ru  Ru25  1  0.60108856  0.20458956  0.74633939  1.0
  Ru  Ru26  1  0.28642584  0.59902937  0.00000000  1.0
  Ru  Ru27  1  0.71420604  0.40293440  0.00000000  1.0
  Ru  Ru28  1  0.79595825  0.60155450  0.24669371  1.0
  Ru  Ru29  1  0.79595825  0.60155450  0.75330629  1.0
  Ru  Ru30  1  0.39870671  0.79470642  0.74614037  1.0
  Ru  Ru31  1  0.99878186  0.00017803  0.24901346  1.0
  Ru  Ru32  1  0.60108856  0.20458956  0.25366061  1.0
  Ru  Ru33  1  0.99878186  0.00017803  0.75098654  1.0