# generated using pymatgen
data_Zr3AlSi2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46671209
_cell_length_b   6.46671252
_cell_length_c   4.04550953
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3AlSi2Ir3
_chemical_formula_sum   'Zr3 Al1 Si2 Ir3'
_cell_volume   146.51123457
_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  0.56014173  1.00000000  0.50000000  1.0
  Zr  Zr1  1  0.43985927  0.43985927  0.50000000  1.0
  Zr  Zr2  1  1.00000000  0.56014073  0.50000000  1.0
  Al  Al3  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si4  1  0.66666700  0.33333400  0.00000000  1.0
  Si  Si5  1  0.33333300  0.66666600  0.00000000  1.0
  Ir  Ir6  1  0.24934825  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.00000000  0.24934625  0.00000000  1.0
  Ir  Ir8  1  0.75065275  0.75065375  0.00000000  1.0