# generated using pymatgen
data_LiBi2(IO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23282300
_cell_length_b   4.23282300
_cell_length_c   9.99993900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2(IO)2
_chemical_formula_sum   'Li1 Bi2 I2 O2'
_cell_volume   179.16681257
_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
  Li  Li0  1  0.25000000  0.75000000  0.50000000  1
  Bi  Bi1  1  0.75000000  0.75000000  0.89182300  1
  Bi  Bi2  1  0.25000000  0.25000000  0.10817700  1
  I  I3  1  0.25000000  0.25000000  0.67750100  1
  I  I4  1  0.75000000  0.75000000  0.32249900  1
  O  O5  1  0.75000000  0.25000000  0.00000000  1
  O  O6  1  0.25000000  0.75000000  0.00000000  1
