# generated using pymatgen
data_Zr2TiSi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82656446
_cell_length_b   6.66527795
_cell_length_c   7.85796126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiSi2Ir
_chemical_formula_sum   'Zr4 Ti2 Si4 Ir2'
_cell_volume   200.41821095
_cell_formula_units_Z   2
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  0.25000000  0.02455641  0.32735938  1.0
  Zr  Zr1  1  0.25000000  0.52455641  0.17264062  1.0
  Zr  Zr2  1  0.75000000  0.97258912  0.67317118  1.0
  Zr  Zr3  1  0.75000000  0.47258912  0.82682882  1.0
  Ti  Ti4  1  0.25000000  0.14048869  0.94390382  1.0
  Ti  Ti5  1  0.25000000  0.64048869  0.55609618  1.0
  Si  Si6  1  0.25000000  0.26352203  0.62426022  1.0
  Si  Si7  1  0.25000000  0.76352203  0.87573978  1.0
  Si  Si8  1  0.75000000  0.73192030  0.35490273  1.0
  Si  Si9  1  0.75000000  0.23192030  0.14509727  1.0
  Ir  Ir10  1  0.75000000  0.86692344  0.05874154  1.0
  Ir  Ir11  1  0.75000000  0.36692344  0.44125846  1.0