# generated using pymatgen
data_Sr2AlIrI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32599473
_cell_length_b   4.32599598
_cell_length_c   18.58397063
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlIrI
_chemical_formula_sum   'Sr4 Al2 Ir2 I2'
_cell_volume   301.19046289
_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
  Sr  Sr0  1  0.00000000  0.00000000  0.38666497  1.0
  Sr  Sr1  1  0.00000000  0.00000000  0.88666497  1.0
  Sr  Sr2  1  0.00000000  0.00000000  0.61294846  1.0
  Sr  Sr3  1  0.00000000  0.00000000  0.11294846  1.0
  Al  Al4  1  0.33333300  0.66666700  0.50020143  1.0
  Al  Al5  1  0.66666700  0.33333300  0.00020143  1.0
  Ir  Ir6  1  0.66666700  0.33333300  0.49941044  1.0
  Ir  Ir7  1  0.33333300  0.66666700  0.99941044  1.0
  I  I8  1  0.33333300  0.66666700  0.25077369  1.0
  I  I9  1  0.66666700  0.33333300  0.75077369  1.0