# generated using pymatgen
data_CuI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65529026
_cell_length_b   7.65754798
_cell_length_c   8.31726424
_cell_angle_alpha   140.27239399
_cell_angle_beta   140.26106121
_cell_angle_gamma   47.66581304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuI4
_chemical_formula_sum   'Cu1 I4'
_cell_volume   195.15852950
_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
  Cu  Cu0  1  0.01485297  0.01494195  -0.00002446  1.0
  I  I1  1  0.35312368  0.35302948  0.46570591  1.0
  I  I2  1  0.88849499  0.88839623  0.53471616  1.0
  I  I3  1  0.12695019  0.61665610  -0.00030759  1.0
  I  I4  1  0.61657816  0.12697625  -0.00009002  1.0