# generated using pymatgen
data_SmI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40034600
_cell_length_b   8.24739900
_cell_length_c   14.13088400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmI2
_chemical_formula_sum   'Sm8 I16'
_cell_volume   862.45880931
_cell_formula_units_Z   8
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  0.67497200  0.54975400  0.09437900  1.0
  Sm  Sm1  1  0.17497200  0.95024600  0.09437900  1.0
  Sm  Sm2  1  0.67497200  0.04975400  0.40562100  1.0
  Sm  Sm3  1  0.82502800  0.54975400  0.59437900  1.0
  Sm  Sm4  1  0.82502800  0.04975400  0.90562100  1.0
  Sm  Sm5  1  0.32502800  0.45024600  0.90562100  1.0
  Sm  Sm6  1  0.32502800  0.95024600  0.59437900  1.0
  Sm  Sm7  1  0.17497200  0.45024600  0.40562100  1.0
  I  I8  1  0.19518600  0.61586000  0.70482200  1.0
  I  I9  1  0.69518600  0.88414000  0.70482200  1.0
  I  I10  1  0.80481400  0.38414000  0.29517800  1.0
  I  I11  1  0.80481400  0.88414000  0.20482200  1.0
  I  I12  1  0.30481400  0.61586000  0.20482200  1.0
  I  I13  1  0.98222500  0.70672000  0.95383600  1.0
  I  I14  1  0.98222500  0.20672000  0.54616400  1.0
  I  I15  1  0.01777500  0.79328000  0.45383600  1.0
  I  I16  1  0.19518600  0.11586000  0.79517800  1.0
  I  I17  1  0.51777500  0.20672000  0.04616400  1.0
  I  I18  1  0.69518600  0.38414000  0.79517800  1.0
  I  I19  1  0.51777500  0.70672000  0.45383600  1.0
  I  I20  1  0.30481400  0.11586000  0.29517800  1.0
  I  I21  1  0.48222500  0.79328000  0.95383600  1.0
  I  I22  1  0.01777500  0.29328000  0.04616400  1.0
  I  I23  1  0.48222500  0.29328000  0.54616400  1.0