# generated using pymatgen
data_YIO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93930987
_cell_length_b   3.93930987
_cell_length_c   9.48607016
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIO
_chemical_formula_sum   'Y2 I2 O2'
_cell_volume   147.20637588
_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
  Y  Y0  1  0.00000000  0.50000000  0.11411803  1.0
  Y  Y1  1  0.50000000  -0.00000000  0.88588197  1.0
  I  I2  1  -0.00000000  0.50000000  0.68470285  1.0
  I  I3  1  0.50000000  0.00000000  0.31529715  1.0
  O  O4  1  0.00000000  0.00000000  -0.00000000  1.0
  O  O5  1  0.50000000  0.50000000  -0.00000000  1.0