# generated using pymatgen
data_CaNbReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53302896
_cell_length_b   8.95867045
_cell_length_c   11.32651398
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbReB6
_chemical_formula_sum   'Ca4 Nb4 Re4 B24'
_cell_volume   358.49823679
_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
  Ca  Ca0  1  0.00000000  0.32369579  0.41521190  1.0
  Ca  Ca1  1  0.00000000  0.67630421  0.58478810  1.0
  Ca  Ca2  1  0.00000000  0.82369579  0.08478810  1.0
  Ca  Ca3  1  0.00000000  0.17630421  0.91521190  1.0
  Nb  Nb4  1  0.00000000  0.94725090  0.37262247  1.0
  Nb  Nb5  1  0.00000000  0.05274910  0.62737753  1.0
  Nb  Nb6  1  0.00000000  0.44725090  0.12737753  1.0
  Nb  Nb7  1  0.00000000  0.55274910  0.87262247  1.0
  Re  Re8  1  0.00000000  0.64549425  0.31523958  1.0
  Re  Re9  1  0.00000000  0.35450575  0.68476042  1.0
  Re  Re10  1  0.00000000  0.14549425  0.18476042  1.0
  Re  Re11  1  0.00000000  0.85450575  0.81523958  1.0
  B  B12  1  0.50000000  0.55503452  0.43234628  1.0
  B  B13  1  0.50000000  0.44496548  0.56765372  1.0
  B  B14  1  0.50000000  0.05503452  0.06765372  1.0
  B  B15  1  0.50000000  0.94496548  0.93234628  1.0
  B  B16  1  0.50000000  0.75453673  0.41679480  1.0
  B  B17  1  0.50000000  0.24546327  0.58320520  1.0
  B  B18  1  0.50000000  0.25453673  0.08320520  1.0
  B  B19  1  0.50000000  0.74546327  0.91679480  1.0
  B  B20  1  0.50000000  0.79898221  0.26268481  1.0
  B  B21  1  0.50000000  0.20101779  0.73731519  1.0
  B  B22  1  0.50000000  0.29898221  0.23731519  1.0
  B  B23  1  0.50000000  0.70101779  0.76268481  1.0
  B  B24  1  0.50000000  0.63216253  0.18044600  1.0
  B  B25  1  0.50000000  0.36783747  0.81955400  1.0
  B  B26  1  0.50000000  0.13216253  0.31955400  1.0
  B  B27  1  0.50000000  0.86783747  0.68044600  1.0
  B  B28  1  0.50000000  0.98359861  0.21402556  1.0
  B  B29  1  0.50000000  0.01640139  0.78597444  1.0
  B  B30  1  0.50000000  0.48359861  0.28597444  1.0
  B  B31  1  0.50000000  0.51640139  0.71402556  1.0
  B  B32  1  0.50000000  0.59909110  0.02564534  1.0
  B  B33  1  0.50000000  0.40090890  0.97435466  1.0
  B  B34  1  0.50000000  0.09909110  0.47435466  1.0
  B  B35  1  0.50000000  0.90090890  0.52564534  1.0