# generated using pymatgen
data_Zr4Al(B7Ir6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46164364
_cell_length_b   7.74513793
_cell_length_c   13.40549335
_cell_angle_alpha   90.00306145
_cell_angle_beta   90.00621563
_cell_angle_gamma   90.04274371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Al(B7Ir6)2
_chemical_formula_sum   'Zr4 Al1 B14 Ir12'
_cell_volume   359.41333862
_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  0.25160936  0.49785860  0.83471929  1.0
  Zr  Zr1  1  0.25337822  0.00205856  0.33209027  1.0
  Zr  Zr2  1  0.74662178  0.99794144  0.66790973  1.0
  Zr  Zr3  1  0.74839064  0.50214140  0.16528071  1.0
  Al  Al4  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  0.75502025  0.32527272  0.72652022  1.0
  B  B8  1  0.75196781  0.82904747  0.22040871  1.0
  B  B9  1  0.75202343  0.75309729  0.80405193  1.0
  B  B10  1  0.75642100  0.24971199  0.29958453  1.0
  B  B11  1  0.75064459  0.42362939  0.97486942  1.0
  B  B12  1  0.75749728  0.91843017  0.47487497  1.0
  B  B13  1  0.24803219  0.17095253  0.77959129  1.0
  B  B14  1  0.24497975  0.67472728  0.27347978  1.0
  B  B15  1  0.24357900  0.75028801  0.70041547  1.0
  B  B16  1  0.24797657  0.24690271  0.19594807  1.0
  B  B17  1  0.24250272  0.08156983  0.52512503  1.0
  B  B18  1  0.24935541  0.57637061  0.02513058  1.0
  Ir  Ir19  1  0.74421429  0.59196942  0.67461619  1.0
  Ir  Ir20  1  0.74888045  0.08916071  0.16262238  1.0
  Ir  Ir21  1  0.75005380  0.70379255  0.96218638  1.0
  Ir  Ir22  1  0.74457937  0.19775597  0.45946178  1.0
  Ir  Ir23  1  0.74936221  0.20259301  0.87478779  1.0
  Ir  Ir24  1  0.74568966  0.71182463  0.36531803  1.0
  Ir  Ir25  1  0.25111955  0.91083929  0.83737762  1.0
  Ir  Ir26  1  0.25578571  0.40803058  0.32538381  1.0
  Ir  Ir27  1  0.25542063  0.80224403  0.54053822  1.0
  Ir  Ir28  1  0.24994620  0.29620745  0.03781362  1.0
  Ir  Ir29  1  0.25431034  0.28817537  0.63468197  1.0
  Ir  Ir30  1  0.25063779  0.79740699  0.12521221  1.0