# generated using pymatgen
data_Zr4Zn(B7Ir6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47258851
_cell_length_b   7.73950483
_cell_length_c   13.38309726
_cell_angle_alpha   89.98036239
_cell_angle_beta   90.00331824
_cell_angle_gamma   90.07349287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Zn(B7Ir6)2
_chemical_formula_sum   'Zr4 Zn1 B14 Ir12'
_cell_volume   359.68535142
_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  0.25057638  0.49791821  0.83467145  1.0
  Zr  Zr1  1  0.25265272  0.00165115  0.33237213  1.0
  Zr  Zr2  1  0.74734728  0.99834885  0.66762787  1.0
  Zr  Zr3  1  0.74942362  0.50208179  0.16532855  1.0
  Zn  Zn4  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  0.75246338  0.32582168  0.72664930  1.0
  B  B8  1  0.75160249  0.82899143  0.22023165  1.0
  B  B9  1  0.75268459  0.75384563  0.80403840  1.0
  B  B10  1  0.75538514  0.24922227  0.29980861  1.0
  B  B11  1  0.75023923  0.42371538  0.97462547  1.0
  B  B12  1  0.75694099  0.91775021  0.47456540  1.0
  B  B13  1  0.24839751  0.17100857  0.77976835  1.0
  B  B14  1  0.24753662  0.67417832  0.27335070  1.0
  B  B15  1  0.24461486  0.75077773  0.70019139  1.0
  B  B16  1  0.24731541  0.24615437  0.19596160  1.0
  B  B17  1  0.24305901  0.08224979  0.52543460  1.0
  B  B18  1  0.24976077  0.57628462  0.02537453  1.0
  Ir  Ir19  1  0.74500064  0.59324232  0.67684035  1.0
  Ir  Ir20  1  0.74823152  0.08872191  0.16100444  1.0
  Ir  Ir21  1  0.75033323  0.70438353  0.96257241  1.0
  Ir  Ir22  1  0.74551664  0.19523588  0.45919274  1.0
  Ir  Ir23  1  0.74972121  0.20194851  0.87587618  1.0
  Ir  Ir24  1  0.74855754  0.71286259  0.36362899  1.0
  Ir  Ir25  1  0.25176848  0.91127809  0.83899556  1.0
  Ir  Ir26  1  0.25499936  0.40675768  0.32315965  1.0
  Ir  Ir27  1  0.25448336  0.80476412  0.54080726  1.0
  Ir  Ir28  1  0.24966677  0.29561647  0.03742759  1.0
  Ir  Ir29  1  0.25144246  0.28713741  0.63637101  1.0
  Ir  Ir30  1  0.25027879  0.79805149  0.12412382  1.0