# generated using pymatgen
data_SmI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94876433
_cell_length_b   3.94876742
_cell_length_c   4.57734019
_cell_angle_alpha   90.00010641
_cell_angle_beta   89.99988603
_cell_angle_gamma   119.99986008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmI
_chemical_formula_sum   'Sm1 I1'
_cell_volume   61.81120425
_cell_formula_units_Z   1
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  0.33333300  0.66666800  0.24999900  1.0
  I  I1  1  0.66666900  0.33333400  0.74999800  1.0