# generated using pymatgen
data_CuI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88112569
_cell_length_b   6.88112569
_cell_length_c   6.88112569
_cell_angle_alpha   131.91855745
_cell_angle_beta   131.91855745
_cell_angle_gamma   70.35768699
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuI4
_chemical_formula_sum   'Cu1 I4'
_cell_volume   176.79192445
_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  0.00000000  0.00000000  0.00000000  1.0
  I  I1  1  0.39177700  0.39177700  0.52428400  1.0
  I  I2  1  0.86749300  0.86749300  0.47571600  1.0
  I  I3  1  0.13250700  0.60822300  0.00000000  1.0
  I  I4  1  0.60822300  0.13250700  0.00000000  1.0