# generated using pymatgen
data_Yb3IO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74482473
_cell_length_b   5.74482189
_cell_length_c   5.74482235
_cell_angle_alpha   59.00931183
_cell_angle_beta   59.00933494
_cell_angle_gamma   59.00933253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3IO6
_chemical_formula_sum   'Yb3 I1 O6'
_cell_volume   131.03546301
_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
  Yb  Yb0  1  0.37172597  0.37172597  0.37172597  1.0
  Yb  Yb1  1  0.64369558  0.64369558  0.64369558  1.0
  Yb  Yb2  1  0.86468947  0.86468947  0.86468947  1.0
  I  I3  1  0.15290955  0.15290955  0.15290955  1.0
  O  O4  1  0.42380000  0.79832636  0.02822310  1.0
  O  O5  1  0.95761202  0.49155314  0.26746581  1.0
  O  O6  1  0.79832736  0.02822310  0.42379900  1.0
  O  O7  1  0.26746481  0.95761302  0.49155314  1.0
  O  O8  1  0.02822310  0.42380000  0.79832636  1.0
  O  O9  1  0.49155314  0.26746481  0.95761202  1.0