# generated using pymatgen
data_CuHIO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89771100
_cell_length_b   6.80434100
_cell_length_c   10.80679000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHIO4
_chemical_formula_sum   'Cu4 H4 I4 O16'
_cell_volume   360.14379572
_cell_formula_units_Z   4
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  0.50000000  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1.0
  H  H4  1  0.89474000  0.25000000  0.51646300  1.0
  H  H5  1  0.60526000  0.25000000  0.01646300  1.0
  H  H6  1  0.10526000  0.75000000  0.48353700  1.0
  H  H7  1  0.39474000  0.75000000  0.98353700  1.0
  I  I8  1  0.50685700  0.25000000  0.74532700  1.0
  I  I9  1  0.99314300  0.25000000  0.24532700  1.0
  I  I10  1  0.49314300  0.75000000  0.25467300  1.0
  I  I11  1  0.00685700  0.75000000  0.75467300  1.0
  O  O12  1  0.30514600  0.25000000  0.88745100  1.0
  O  O13  1  0.19485400  0.25000000  0.38745100  1.0
  O  O14  1  0.69485400  0.75000000  0.11254900  1.0
  O  O15  1  0.80514600  0.75000000  0.61254900  1.0
  O  O16  1  0.31740300  0.04796500  0.66170700  1.0
  O  O17  1  0.18259700  0.45203500  0.16170700  1.0
  O  O18  1  0.68259700  0.54796500  0.33829300  1.0
  O  O19  1  0.81740300  0.95203500  0.83829300  1.0
  O  O20  1  0.68259700  0.95203500  0.33829300  1.0
  O  O21  1  0.81740300  0.54796500  0.83829300  1.0
  O  O22  1  0.31740300  0.45203500  0.66170700  1.0
  O  O23  1  0.18259700  0.04796500  0.16170700  1.0
  O  O24  1  0.69527100  0.25000000  0.53460500  1.0
  O  O25  1  0.80472900  0.25000000  0.03460500  1.0
  O  O26  1  0.30472900  0.75000000  0.46539500  1.0
  O  O27  1  0.19527100  0.75000000  0.96539500  1.0