# generated using pymatgen
data_Cu2IO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75235300
_cell_length_b   5.85788400
_cell_length_c   6.08042816
_cell_angle_alpha   78.01032788
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2IO3
_chemical_formula_sum   'Cu4 I2 O6'
_cell_volume   200.42019707
_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
  Cu  Cu0  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.25000000  0.50153300  0.99617900  1.0
  Cu  Cu3  1  0.75000000  0.49846700  0.00382100  1.0
  I  I4  1  0.25000000  0.21804600  0.49157700  1.0
  I  I5  1  0.75000000  0.78195400  0.50842300  1.0
  O  O6  1  0.25000000  0.98618400  0.78716300  1.0
  O  O7  1  0.75000000  0.01381600  0.21283700  1.0
  O  O8  1  0.50178300  0.32645600  0.91933700  1.0
  O  O9  1  0.00178300  0.67354400  0.08066300  1.0
  O  O10  1  0.49821700  0.67354400  0.08066300  1.0
  O  O11  1  0.99821700  0.32645600  0.91933700  1.0