# generated using pymatgen
data_Sm2(Al3Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54039111
_cell_length_b   7.54039111
_cell_length_c   9.52300089
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.40204789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2(Al3Ir)3
_chemical_formula_sum   'Sm4 Al18 Ir6'
_cell_volume   471.71270625
_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
  Sm  Sm0  1  0.99498597  0.67104226  0.75000000  1.0
  Sm  Sm1  1  0.00501403  0.32895774  0.25000000  1.0
  Sm  Sm2  1  0.67104226  0.99498597  0.75000000  1.0
  Sm  Sm3  1  0.32895774  0.00501403  0.25000000  1.0
  Al  Al4  1  0.13123193  0.13123193  0.75000000  1.0
  Al  Al5  1  0.86876807  0.86876807  0.25000000  1.0
  Al  Al6  1  0.00254733  0.33530107  0.57235557  1.0
  Al  Al7  1  0.99745267  0.66469893  0.42764443  1.0
  Al  Al8  1  0.99745267  0.66469893  0.07235557  1.0
  Al  Al9  1  0.33530107  0.00254733  0.92764443  1.0
  Al  Al10  1  0.00254733  0.33530107  0.92764443  1.0
  Al  Al11  1  0.66469893  0.99745267  0.07235557  1.0
  Al  Al12  1  0.66469893  0.99745267  0.42764443  1.0
  Al  Al13  1  0.33530107  0.00254733  0.57235557  1.0
  Al  Al14  1  0.33426478  0.33426478  0.04714994  1.0
  Al  Al15  1  0.66573522  0.66573522  0.95285006  1.0
  Al  Al16  1  0.66573522  0.66573522  0.54714994  1.0
  Al  Al17  1  0.33426478  0.33426478  0.45285006  1.0
  Al  Al18  1  0.33938257  0.54666161  0.75000000  1.0
  Al  Al19  1  0.66061743  0.45333839  0.25000000  1.0
  Al  Al20  1  0.54666161  0.33938257  0.75000000  1.0
  Al  Al21  1  0.45333839  0.66061743  0.25000000  1.0
  Ir  Ir22  1  0.67151072  0.32848928  0.50000000  1.0
  Ir  Ir23  1  0.32848928  0.67151072  0.50000000  1.0
  Ir  Ir24  1  0.32848928  0.67151072  -0.00000000  1.0
  Ir  Ir25  1  0.67151072  0.32848928  -0.00000000  1.0
  Ir  Ir26  1  0.00000000  -0.00000000  0.50000000  1.0
  Ir  Ir27  1  0.00000000  -0.00000000  -0.00000000  1.0