# generated using pymatgen
data_Zr6ZnSn5Ir6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42493603
_cell_length_b   7.42493683
_cell_length_c   7.14752761
_cell_angle_alpha   90.14513012
_cell_angle_beta   89.85487193
_cell_angle_gamma   120.51595313
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6ZnSn5Ir6
_chemical_formula_sum   'Zr6 Zn1 Sn5 Ir6'
_cell_volume   339.46000203
_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  0.40318949  0.02520996  0.25543484  1.0
  Zr  Zr1  1  0.58925610  0.60276824  0.74293869  1.0
  Zr  Zr2  1  0.60276824  0.58925610  0.25706131  1.0
  Zr  Zr3  1  0.00204070  0.38987167  0.25529049  1.0
  Zr  Zr4  1  0.02520996  0.40318949  0.74456516  1.0
  Zr  Zr5  1  0.38987167  0.00204070  0.74470951  1.0
  Zn  Zn6  1  0.27640918  0.27640918  0.50000000  1.0
  Sn  Sn7  1  0.26597562  0.26597562  1.00000000  1.0
  Sn  Sn8  1  0.73048107  0.99853835  0.99993299  1.0
  Sn  Sn9  1  0.00107813  0.72698631  0.49982216  1.0
  Sn  Sn10  1  0.72698631  0.00107813  0.50017784  1.0
  Sn  Sn11  1  0.99853835  0.73048107  0.00006701  1.0
  Ir  Ir12  1  0.66099559  0.33127185  0.52216454  1.0
  Ir  Ir13  1  0.66143310  0.33019395  0.97444404  1.0
  Ir  Ir14  1  0.33019395  0.66143310  0.02555596  1.0
  Ir  Ir15  1  0.33127185  0.66099559  0.47783546  1.0
  Ir  Ir16  1  0.00185456  0.00244611  0.74042865  1.0
  Ir  Ir17  1  0.00244611  0.00185456  0.25957135  1.0