# generated using pymatgen
data_Zr4Si(B7Ir6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50420054
_cell_length_b   7.66506576
_cell_length_c   13.27706929
_cell_angle_alpha   90.01416030
_cell_angle_beta   90.00187905
_cell_angle_gamma   90.05156019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Si(B7Ir6)2
_chemical_formula_sum   'Zr4 Si1 B14 Ir12'
_cell_volume   356.62096400
_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  0.25101426  0.49863800  0.83338354  1.0
  Zr  Zr1  1  0.25226006  0.00148039  0.33332640  1.0
  Zr  Zr2  1  0.74773994  0.99851961  0.66667360  1.0
  Zr  Zr3  1  0.74898574  0.50136200  0.16661646  1.0
  Si  Si4  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  0.75893109  0.32570010  0.72563570  1.0
  B  B8  1  0.75371018  0.82802789  0.22136950  1.0
  B  B9  1  0.75289877  0.75292718  0.80310218  1.0
  B  B10  1  0.75960480  0.24957215  0.30031462  1.0
  B  B11  1  0.75004138  0.42334093  0.97512787  1.0
  B  B12  1  0.76634530  0.91998801  0.47484901  1.0
  B  B13  1  0.24628982  0.17197211  0.77863050  1.0
  B  B14  1  0.24106891  0.67429990  0.27436430  1.0
  B  B15  1  0.24039520  0.75042785  0.69968538  1.0
  B  B16  1  0.24710123  0.24707282  0.19689782  1.0
  B  B17  1  0.23365470  0.08001199  0.52515099  1.0
  B  B18  1  0.24995862  0.57665907  0.02487213  1.0
  Ir  Ir19  1  0.74153996  0.59093241  0.67025490  1.0
  Ir  Ir20  1  0.74885015  0.08989112  0.16361288  1.0
  Ir  Ir21  1  0.75084314  0.70545842  0.96262050  1.0
  Ir  Ir22  1  0.73682435  0.20289479  0.46088849  1.0
  Ir  Ir23  1  0.74827490  0.20173921  0.87366850  1.0
  Ir  Ir24  1  0.74236795  0.70777463  0.36845615  1.0
  Ir  Ir25  1  0.25114985  0.91010888  0.83638712  1.0
  Ir  Ir26  1  0.25846004  0.40906759  0.32974510  1.0
  Ir  Ir27  1  0.26317565  0.79710521  0.53911151  1.0
  Ir  Ir28  1  0.24915686  0.29454158  0.03737950  1.0
  Ir  Ir29  1  0.25763205  0.29222537  0.63154385  1.0
  Ir  Ir30  1  0.25172510  0.79826079  0.12633150  1.0