# generated using pymatgen
data_Sm3IrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33053133
_cell_length_b   8.96320320
_cell_length_c   12.46212169
_cell_angle_alpha   86.53010482
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3IrI3
_chemical_formula_sum   'Sm6 Ir2 I6'
_cell_volume   482.83584914
_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  0.75000000  0.13529064  0.12597889  1.0
  Sm  Sm1  1  0.25000000  0.86470936  0.87402111  1.0
  Sm  Sm2  1  0.75000000  0.09904790  0.67829787  1.0
  Sm  Sm3  1  0.25000000  0.90095210  0.32170213  1.0
  Sm  Sm4  1  0.25000000  0.26357467  0.89594136  1.0
  Sm  Sm5  1  0.75000000  0.73642533  0.10405864  1.0
  Ir  Ir6  1  0.75000000  0.05989452  0.90105966  1.0
  Ir  Ir7  1  0.25000000  0.94010548  0.09894034  1.0
  I  I8  1  0.25000000  0.42478147  0.13372279  1.0
  I  I9  1  0.75000000  0.57521853  0.86627721  1.0
  I  I10  1  0.25000000  0.35487302  0.63578727  1.0
  I  I11  1  0.75000000  0.64512698  0.36421273  1.0
  I  I12  1  0.75000000  0.14514713  0.39325653  1.0
  I  I13  1  0.25000000  0.85485287  0.60674347  1.0