# generated using pymatgen
data_SmIO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.21875062
_cell_length_b   11.21875062
_cell_length_c   11.21875101
_cell_angle_alpha   20.66950832
_cell_angle_beta   20.66950832
_cell_angle_gamma   20.66951415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmIO
_chemical_formula_sum   'Sm2 I2 O2'
_cell_volume   154.00686665
_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  0.21062100  0.21062100  0.21062100  1.0
  Sm  Sm1  1  0.78937900  0.78937900  0.78937900  1.0
  I  I2  1  0.61123600  0.61123600  0.61123600  1.0
  I  I3  1  0.38876400  0.38876400  0.38876400  1.0
  O  O4  1  0.13993300  0.13993300  0.13993300  1.0
  O  O5  1  0.86006700  0.86006700  0.86006700  1.0