# generated using pymatgen
data_SmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.16611543
_cell_length_b   11.16611408
_cell_length_c   4.07511518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmI3
_chemical_formula_sum   'Sm2 I6'
_cell_volume   440.02231601
_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  0.33333400  0.66666800  0.75000000  1.0
  Sm  Sm1  1  0.66666700  0.33333300  0.24999900  1.0
  I  I2  1  0.21201128  0.42402356  0.24999900  1.0
  I  I3  1  0.57597644  0.78798872  0.24999900  1.0
  I  I4  1  0.21201128  0.78798872  0.24999900  1.0
  I  I5  1  0.78798872  0.57597644  0.75000000  1.0
  I  I6  1  0.42402456  0.21201228  0.75000000  1.0
  I  I7  1  0.78798772  0.21201228  0.75000000  1.0