# generated using pymatgen
data_ZrAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34863297
_cell_length_b   5.34863297
_cell_length_c   8.29006800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.44945055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlIr
_chemical_formula_sum   'Zr4 Al4 Ir4'
_cell_volume   206.51757702
_cell_formula_units_Z   4
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  0.33463700  0.66536300  0.20818700  1.0
  Zr  Zr1  1  0.67023100  0.32976900  0.32250100  1.0
  Zr  Zr2  1  0.67023100  0.32976900  0.67749900  1.0
  Zr  Zr3  1  0.33463700  0.66536300  0.79181300  1.0
  Al  Al4  1  0.99442100  0.00557900  0.25471600  1.0
  Al  Al5  1  0.99442100  0.00557900  0.74528400  1.0
  Al  Al6  1  0.82879700  0.65521900  0.00000000  1.0
  Al  Al7  1  0.34478100  0.17120300  0.00000000  1.0
  Ir  Ir8  1  0.83048500  0.16951500  0.00000000  1.0
  Ir  Ir9  1  0.16952700  0.33797700  0.50000000  1.0
  Ir  Ir10  1  0.66202300  0.83047300  0.50000000  1.0
  Ir  Ir11  1  0.16620100  0.83379900  0.50000000  1.0