# generated using pymatgen
data_Sm3Sn13Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73782360
_cell_length_b   9.73782809
_cell_length_c   9.73782593
_cell_angle_alpha   90.00000577
_cell_angle_beta   90.00000453
_cell_angle_gamma   89.99999376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Sn13Ir4
_chemical_formula_sum   'Sm6 Sn26 Ir8'
_cell_volume   923.39179957
_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  0.49999653  -0.00000247  0.75000132  1.0
  Sm  Sm1  1  0.00000391  0.24999874  0.49999971  1.0
  Sm  Sm2  1  0.75000125  0.50000214  -0.00000027  1.0
  Sm  Sm3  1  0.49999576  -0.00000192  0.24999886  1.0
  Sm  Sm4  1  0.00000390  0.75000132  0.50000004  1.0
  Sm  Sm5  1  0.24999882  0.50000218  0.00000034  1.0
  Sn  Sn6  1  0.49999493  0.50000306  0.49999903  1.0
  Sn  Sn7  1  0.00000512  -0.00000304  0.00000094  1.0
  Sn  Sn8  1  0.65201966  0.19262327  0.49999902  1.0
  Sn  Sn9  1  0.80737786  0.50000063  0.65202217  1.0
  Sn  Sn10  1  0.49999988  0.34798072  0.80737773  1.0
  Sn  Sn11  1  0.34797700  0.80737485  0.49999965  1.0
  Sn  Sn12  1  0.19262592  0.50000154  0.34797811  1.0
  Sn  Sn13  1  0.49999687  0.65202144  0.19262281  1.0
  Sn  Sn14  1  0.65201802  0.80737500  0.49999957  1.0
  Sn  Sn15  1  0.80737835  0.50000013  0.34797746  1.0
  Sn  Sn16  1  0.34797784  0.19262249  0.49999756  1.0
  Sn  Sn17  1  0.19262558  0.50000332  0.65202056  1.0
  Sn  Sn18  1  0.49999726  0.65202232  0.80737751  1.0
  Sn  Sn19  1  0.49999819  0.34798031  0.19262329  1.0
  Sn  Sn20  1  0.15202309  -0.00000328  0.69262421  1.0
  Sn  Sn21  1  0.30737438  0.15201991  0.00000237  1.0
  Sn  Sn22  1  0.00000008  0.30737784  0.84797988  1.0
  Sn  Sn23  1  0.84798081  -0.00000011  0.30737507  1.0
  Sn  Sn24  1  0.69262163  0.84797711  0.00000045  1.0
  Sn  Sn25  1  0.00000313  0.69262419  0.15202049  1.0
  Sn  Sn26  1  0.15202365  -0.00000138  0.30737505  1.0
  Sn  Sn27  1  0.30737391  0.84797698  0.00000102  1.0
  Sn  Sn28  1  0.84798002  -0.00000059  0.69262494  1.0
  Sn  Sn29  1  0.69262224  0.15202175  0.00000072  1.0
  Sn  Sn30  1  0.00000157  0.30737745  0.15202150  1.0
  Sn  Sn31  1  0.00000291  0.69262456  0.84797973  1.0
  Ir  Ir32  1  0.75000019  0.25000131  0.75000075  1.0
  Ir  Ir33  1  0.25000043  0.75000003  0.24999986  1.0
  Ir  Ir34  1  0.74999970  0.74999917  0.24999915  1.0
  Ir  Ir35  1  0.24999975  0.24999988  0.74999951  1.0
  Ir  Ir36  1  0.25000000  0.75000014  0.74999997  1.0
  Ir  Ir37  1  0.75000001  0.25000055  0.24999948  1.0
  Ir  Ir38  1  0.25000033  0.24999963  0.25000050  1.0
  Ir  Ir39  1  0.74999953  0.74999985  0.75000092  1.0