[CIF]
data_Zr3Al3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70464597
_cell_length_b   7.70464597
_cell_length_c   5.32758990
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al3Si
_chemical_formula_sum   'Zr6 Al6 Si2'
_cell_volume   273.88408310
_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
  Al  Al0  1  -0.54598427  5.95807381  3.99569243  1
  Al  Al1  1  -1.03452816  3.22054599  3.99569243  1
  Al  Al2  1  1.58051243  4.16621847  3.99569243  1
  Al  Al3  1  4.39830725  0.71434532  1.33189748  1
  Al  Al4  1  4.88685115  3.45187315  1.33189748  1
  Al  Al5  1  2.27181056  2.50620066  1.33189748  1
  Si  Si6  1  3.85232298  2.22413971  3.99569243  1
  Si  Si7  1  -0.00000000  4.44827942  1.33189748  1
  Zr  Zr8  1  4.42303974  4.99116415  3.99569243  1
  Zr  Zr9  1  1.17065115  1.33488270  3.99569243  1
  Zr  Zr10  1  5.96327806  0.34637228  3.99569243  1
  Zr  Zr11  1  -0.57071676  1.68125499  1.33189748  1
  Zr  Zr12  1  2.68167183  5.33753643  1.33189748  1
  Zr  Zr13  1  -2.11095508  6.32604685  1.33189748  1
[/CIF]
