# generated using pymatgen
data_Zr4Cd(B7Ir6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43930523
_cell_length_b   7.84797774
_cell_length_c   13.56933121
_cell_angle_alpha   89.91098011
_cell_angle_beta   90.08487798
_cell_angle_gamma   90.12543286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Cd(B7Ir6)2
_chemical_formula_sum   'Zr4 Cd1 B14 Ir12'
_cell_volume   366.25611707
_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
  Zr  Zr0  1  0.24986047  0.49644310  0.83634770  1.0
  Zr  Zr1  1  0.25213548  0.00267534  0.33071426  1.0
  Zr  Zr2  1  0.74786452  0.99732466  0.66928574  1.0
  Zr  Zr3  1  0.75013953  0.50355690  0.16365230  1.0
  Cd  Cd4  1  0.50000000  0.50000000  0.50000000  1.0
  B  B5  1  0.50000000  0.00000000  0.00000000  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  B  B7  1  0.74391561  0.32465841  0.72963902  1.0
  B  B8  1  0.75007593  0.83053312  0.21766924  1.0
  B  B9  1  0.74950752  0.75510445  0.80641619  1.0
  B  B10  1  0.74869975  0.24737945  0.29738689  1.0
  B  B11  1  0.75117485  0.42368761  0.97497959  1.0
  B  B12  1  0.74108536  0.91690438  0.47376558  1.0
  B  B13  1  0.24992407  0.16946688  0.78233076  1.0
  B  B14  1  0.25608439  0.67534159  0.27036098  1.0
  B  B15  1  0.25130025  0.75262055  0.70261311  1.0
  B  B16  1  0.25049248  0.24489555  0.19358381  1.0
  B  B17  1  0.25891464  0.08309562  0.52623442  1.0
  B  B18  1  0.24882515  0.57631239  0.02502041  1.0
  Ir  Ir19  1  0.75291613  0.59389721  0.68312404  1.0
  Ir  Ir20  1  0.74998156  0.08815111  0.15975010  1.0
  Ir  Ir21  1  0.74930676  0.70169087  0.96242651  1.0
  Ir  Ir22  1  0.76240761  0.18822670  0.45597568  1.0
  Ir  Ir23  1  0.75037917  0.20241609  0.87715293  1.0
  Ir  Ir24  1  0.75833751  0.71876000  0.35929221  1.0
  Ir  Ir25  1  0.25001844  0.91184889  0.84024990  1.0
  Ir  Ir26  1  0.24708387  0.40610279  0.31687596  1.0
  Ir  Ir27  1  0.23759239  0.81177330  0.54402432  1.0
  Ir  Ir28  1  0.25069324  0.29830913  0.03757349  1.0
  Ir  Ir29  1  0.24166249  0.28124000  0.64070779  1.0
  Ir  Ir30  1  0.24962083  0.79758391  0.12284707  1.0