# generated using pymatgen
data_Sm2Si3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22246719
_cell_length_b   8.17732917
_cell_length_c   5.86250430
_cell_angle_alpha   69.46741349
_cell_angle_beta   68.64341239
_cell_angle_gamma   41.88919016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Si3Ir
_chemical_formula_sum   'Sm4 Si6 Ir2'
_cell_volume   243.10092464
_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  0.25229256  0.74770644  0.25229356  1.0
  Sm  Sm1  1  0.25000000  0.25000000  0.24999900  1.0
  Sm  Sm2  1  0.75000000  0.75000000  0.75000000  1.0
  Sm  Sm3  1  0.74770644  0.25229356  0.74770644  1.0
  Si  Si4  1  0.83249096  0.83249196  0.16750904  1.0
  Si  Si5  1  0.83360639  0.33443266  0.16639261  1.0
  Si  Si6  1  0.66556734  0.16639261  0.33443266  1.0
  Si  Si7  1  0.33443166  0.83360739  0.66556834  1.0
  Si  Si8  1  0.16639161  0.66556834  0.83360739  1.0
  Si  Si9  1  0.16750804  0.16750904  0.83249196  1.0
  Ir  Ir10  1  0.66612234  0.66612334  0.33387666  1.0
  Ir  Ir11  1  0.33387666  0.33387766  0.66612334  1.0